1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide

C22H30N4O2 — CID 35535566

IUPAC1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccn(C2CCCC2)n1
InChIInChI=1S/C22H30N4O2/c27-22(21-12-15-26(24-21)19-6-2-3-7-19)23-18-8-10-20(11-9-18)28-17-16-25-13-4-1-5-14-25/h8-12,15,19H,1-7,13-14,16-17H2,(H,23,27)
InChIKeyDNPDMZIUPHQIHF-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.12
Rot. Bonds7

About 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide

1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 35535566) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide
PubChem CID35535566
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccn(C2CCCC2)n1
InChIInChI=1S/C22H30N4O2/c27-22(21-12-15-26(24-21)19-6-2-3-7-19)23-18-8-10-20(11-9-18)28-17-16-25-13-4-1-5-14-25/h8-12,15,19H,1-7,13-14,16-17H2,(H,23,27)
InChIKeyDNPDMZIUPHQIHF-UHFFFAOYSA-N
XLogP4.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 100626552
1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]imidazole-4-carboxamide
CID 167930461
4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
CID 166090293
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 155947569
2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 141275172
4-[[[4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122087184
1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100702903
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-chlorophenyl)cyclopentane-1-carboxamide
CID 100666686

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide (CID 35535566) is 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccn(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is DNPDMZIUPHQIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-22(21-12-15-26(24-21)19-6-2-3-7-19)23-18-8-10-20(11-9-18)28-17-16-25-13-4-1-5-14-25/h8-12,15,19H,1-7,13-14,16-17H2,(H,23,27).
What are the key properties of 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide?
1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35535566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).