N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide

C20H20N4O — CID 95708930

IUPACN-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)c1ccccc1[C@H]1CCNC1
InChIInChI=1S/C20H20N4O/c25-20(19-4-2-1-3-18(19)15-9-10-21-11-15)24-17-7-5-14(6-8-17)16-12-22-23-13-16/h1-8,12-13,15,21H,9-11H2,(H,22,23)(H,24,25)/t15-/m0/s1
InChIKeyISIBNBBHUZPVKT-HNNXBMFYSA-N
MW332.41 g/mol
LogP3.41
Rot. Bonds4

About N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide

N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 95708930) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID95708930
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)c1ccccc1[C@H]1CCNC1
InChIInChI=1S/C20H20N4O/c25-20(19-4-2-1-3-18(19)15-9-10-21-11-15)24-17-7-5-14(6-8-17)16-12-22-23-13-16/h1-8,12-13,15,21H,9-11H2,(H,22,23)(H,24,25)/t15-/m0/s1
InChIKeyISIBNBBHUZPVKT-HNNXBMFYSA-N
XLogP3.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 95725926
N-(2-methoxy-3-pyridinyl)-2-pyrrolidin-3-ylbenzamide
CID 56903538
2-cyclopropyl-N-phenylbenzamide
CID 71426247
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95720866
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
5-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166250475
N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58310850
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
CID 67251605
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576
(3S)-1-oxo-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 117076188
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide (CID 95708930) is N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide is O=C(Nc1ccc(-c2cn[nH]c2)cc1)c1ccccc1[C@H]1CCNC1.
What is the InChIKey of N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is ISIBNBBHUZPVKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(19-4-2-1-3-18(19)15-9-10-21-11-15)24-17-7-5-14(6-8-17)16-12-22-23-13-16/h1-8,12-13,15,21H,9-11H2,(H,22,23)(H,24,25)/t15-/m0/s1.
What are the key properties of N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide?
N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95708930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).