4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide

C22H31ClFN5O — CID 129047706

IUPAC4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide
SMILESCCc1c(-c2c(Cl)cnn2C)cc(C(=O)N[C@H]2CNCCC2C2CCC(F)C2)n1C
InChIInChI=1S/C22H31ClFN5O/c1-4-19-16(21-17(23)11-26-29(21)3)10-20(28(19)2)22(30)27-18-12-25-8-7-15(18)13-5-6-14(24)9-13/h10-11,13-15,18,25H,4-9,12H2,1-3H3,(H,27,30)/t13?,14?,15?,18-/m0/s1
InChIKeyMIZHIGBNGXSGTQ-VLVBFLKRSA-N
MW435.98 g/mol
LogP3.49
Rot. Bonds5

About 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide

4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 129047706) has the molecular formula C22H31ClFN5O and a molecular weight of 435.98 g/mol. Its IUPAC name is 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide
PubChem CID129047706
Molecular FormulaC22H31ClFN5O
Molecular Weight435.98 g/mol
Exact Mass435.22
IUPAC Name4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide
SMILESCCc1c(-c2c(Cl)cnn2C)cc(C(=O)N[C@H]2CNCCC2C2CCC(F)C2)n1C
InChIInChI=1S/C22H31ClFN5O/c1-4-19-16(21-17(23)11-26-29(21)3)10-20(28(19)2)22(30)27-18-12-25-8-7-15(18)13-5-6-14(24)9-13/h10-11,13-15,18,25H,4-9,12H2,1-3H3,(H,27,30)/t13?,14?,15?,18-/m0/s1
InChIKeyMIZHIGBNGXSGTQ-VLVBFLKRSA-N
XLogP3.49
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-4-(1-methyl-4-propan-2-ylpyrazol-5-yl)pyrimidine-2-carboxamide
CID 129047672
4-chloro-5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]pyridine-2-carboxamide
CID 118408901
N-[(3R,4R)-4-(5-chlorocyclohexen-1-yl)piperidin-3-yl]-5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxamide
CID 129047674
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]pyridine-2-carboxamide
CID 155534728
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]benzamide;hydrochloride
CID 155548161
5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 118408835
5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid
CID 126504480
4-(4-bromo-1-methylpyrazol-5-yl)-3-chloro-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]benzamide
CID 155567065
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-yl]-2-fluorobenzamide;hydrochloride
CID 155558491
1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 156608717
5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 115044845
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 155528489

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide (CID 129047706) is 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide is CCc1c(-c2c(Cl)cnn2C)cc(C(=O)N[C@H]2CNCCC2C2CCC(F)C2)n1C.
What is the InChIKey of 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MIZHIGBNGXSGTQ-VLVBFLKRSA-N. The full InChI is InChI=1S/C22H31ClFN5O/c1-4-19-16(21-17(23)11-26-29(21)3)10-20(28(19)2)22(30)27-18-12-25-8-7-15(18)13-5-6-14(24)9-13/h10-11,13-15,18,25H,4-9,12H2,1-3H3,(H,27,30)/t13?,14?,15?,18-/m0/s1.
What are the key properties of 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide?
4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 435.98 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 129047706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).