2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide

C8H13N5O2 — CID 61285108

IUPAC2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C8H13N5O2/c9-6(3-7(10)14)8(15)11-4-5-1-2-12-13-5/h1-2,6H,3-4,9H2,(H2,10,14)(H,11,15)(H,12,13)
InChIKeyJNYFHKLFMSXCPH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.77
Rot. Bonds5

About 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide

2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide (PubChem CID 61285108) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide
PubChem CID61285108
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C8H13N5O2/c9-6(3-7(10)14)8(15)11-4-5-1-2-12-13-5/h1-2,6H,3-4,9H2,(H2,10,14)(H,11,15)(H,12,13)
InChIKeyJNYFHKLFMSXCPH-UHFFFAOYSA-N
XLogP-1.77
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61284119
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034
(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 104910842
2-amino-N-(pyridin-2-ylmethyl)butanediamide
CID 60847401
2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 60975273
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
2-amino-N-(thiophen-3-ylmethyl)butanediamide
CID 63246274
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61285252
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide?
The IUPAC name of 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide (CID 61285108) is 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide?
The canonical SMILES for 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide is NC(=O)CC(N)C(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide?
The InChIKey is JNYFHKLFMSXCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-6(3-7(10)14)8(15)11-4-5-1-2-12-13-5/h1-2,6H,3-4,9H2,(H2,10,14)(H,11,15)(H,12,13).
What are the key properties of 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide?
2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide has a molecular weight of 211.22 g/mol, XLogP of -1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide is sourced from PubChem (CID 61285108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).