N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C20H26FN5O2 — CID 136534543

IUPACN-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC(CN2CCOCC2)C1
InChIInChI=1S/C20H26FN5O2/c21-18-3-1-16(2-4-18)15-26-19(5-7-22-26)23-20(27)25-8-6-17(14-25)13-24-9-11-28-12-10-24/h1-5,7,17H,6,8-15H2,(H,23,27)
InChIKeyQPNZHJJYTWYHPZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.26
Rot. Bonds5

About N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 136534543) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID136534543
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC NameN-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC(CN2CCOCC2)C1
InChIInChI=1S/C20H26FN5O2/c21-18-3-1-16(2-4-18)15-26-19(5-7-22-26)23-20(27)25-8-6-17(14-25)13-24-9-11-28-12-10-24/h1-5,7,17H,6,8-15H2,(H,23,27)
InChIKeyQPNZHJJYTWYHPZ-UHFFFAOYSA-N
XLogP2.26
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 75524666
3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
CID 154903028
1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090400
(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99634463
1-[[2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122090658
N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide
CID 55845235
N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 75510503
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
CID 110304886
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
CID 20907510
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 136534543) is N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC(CN2CCOCC2)C1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is QPNZHJJYTWYHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c21-18-3-1-16(2-4-18)15-26-19(5-7-22-26)23-20(27)25-8-6-17(14-25)13-24-9-11-28-12-10-24/h1-5,7,17H,6,8-15H2,(H,23,27).
What are the key properties of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136534543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).