N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

C18H22N4O — CID 78851425

IUPACN-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H22N4O/c23-18(20-15-8-9-15)17-7-4-10-21(17)12-14-11-19-22(13-14)16-5-2-1-3-6-16/h1-3,5-6,11,13,15,17H,4,7-10,12H2,(H,20,23)
InChIKeyQWZXOHGKLSDJDI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.12
Rot. Bonds5

About N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 78851425) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID78851425
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H22N4O/c23-18(20-15-8-9-15)17-7-4-10-21(17)12-14-11-19-22(13-14)16-5-2-1-3-6-16/h1-3,5-6,11,13,15,17H,4,7-10,12H2,(H,20,23)
InChIKeyQWZXOHGKLSDJDI-UHFFFAOYSA-N
XLogP2.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45154166
N-cyclopropyl-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 146124522
1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560167
(2R)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 91782065
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907
methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate
CID 51093260
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784885
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
(2S)-1-benzyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95766087
(2R)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]azetidine-2-carboxylic acid
CID 124851906
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675168
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 78851425) is N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is QWZXOHGKLSDJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(20-15-8-9-15)17-7-4-10-21(17)12-14-11-19-22(13-14)16-5-2-1-3-6-16/h1-3,5-6,11,13,15,17H,4,7-10,12H2,(H,20,23).
What are the key properties of N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78851425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).