(2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide

C16H19N5O3 — CID 70712301

IUPAC(2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide
SMILESNC(=O)CC[C@@H](NC(=O)c1cccc(Cn2cccn2)c1)C(N)=O
InChIInChI=1S/C16H19N5O3/c17-14(22)6-5-13(15(18)23)20-16(24)12-4-1-3-11(9-12)10-21-8-2-7-19-21/h1-4,7-9,13H,5-6,10H2,(H2,17,22)(H2,18,23)(H,20,24)/t13-/m1/s1
InChIKeyRDWAUHICPDRXIU-CYBMUJFWSA-N
MW329.36 g/mol
LogP-0.22
Rot. Bonds8

About (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide

(2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide (PubChem CID 70712301) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide.

Molecular Properties

Compound Name(2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide
PubChem CID70712301
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide
SMILESNC(=O)CC[C@@H](NC(=O)c1cccc(Cn2cccn2)c1)C(N)=O
InChIInChI=1S/C16H19N5O3/c17-14(22)6-5-13(15(18)23)20-16(24)12-4-1-3-11(9-12)10-21-8-2-7-19-21/h1-4,7-9,13H,5-6,10H2,(H2,17,22)(H2,18,23)(H,20,24)/t13-/m1/s1
InChIKeyRDWAUHICPDRXIU-CYBMUJFWSA-N
XLogP-0.22
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[[3-(aminomethyl)benzoyl]amino]-5-oxopentanoic acid
CID 82546355
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 141063851
5-amino-2-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
CID 24693335
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97137368
N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24695013
(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 107829854
(2S)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 61144055
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 77080300
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35762825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide?
The IUPAC name of (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide (CID 70712301) is (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide.
What is the SMILES notation for (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide?
The canonical SMILES for (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide is NC(=O)CC[C@@H](NC(=O)c1cccc(Cn2cccn2)c1)C(N)=O.
What is the InChIKey of (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide?
The InChIKey is RDWAUHICPDRXIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N5O3/c17-14(22)6-5-13(15(18)23)20-16(24)12-4-1-3-11(9-12)10-21-8-2-7-19-21/h1-4,7-9,13H,5-6,10H2,(H2,17,22)(H2,18,23)(H,20,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide?
(2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide has a molecular weight of 329.36 g/mol, XLogP of -0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide is sourced from PubChem (CID 70712301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).