4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide

C15H18N4O — CID 68738531

IUPAC4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H18N4O/c20-15(18-14-6-8-16-10-14)13-4-2-12(3-5-13)11-19-9-1-7-17-19/h1-5,7,9,14,16H,6,8,10-11H2,(H,18,20)
InChIKeyGRNJOECIFKIHQN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.02
Rot. Bonds4

About 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide

4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 68738531) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID68738531
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H18N4O/c20-15(18-14-6-8-16-10-14)13-4-2-12(3-5-13)11-19-9-1-7-17-19/h1-5,7,9,14,16H,6,8,10-11H2,(H,18,20)
InChIKeyGRNJOECIFKIHQN-UHFFFAOYSA-N
XLogP1.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 134037527
N-(1,1-dioxothiolan-3-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18137645
N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55594865
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68766913
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111661620
N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836552

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide (CID 68738531) is 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is GRNJOECIFKIHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(18-14-6-8-16-10-14)13-4-2-12(3-5-13)11-19-9-1-7-17-19/h1-5,7,9,14,16H,6,8,10-11H2,(H,18,20).
What are the key properties of 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide?
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 270.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 68738531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).