2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide

C10H17N5O2 — CID 54863171

IUPAC2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
SMILESCCC(N)C(=O)Nc1cnn(CC(=O)NC)c1
InChIInChI=1S/C10H17N5O2/c1-3-8(11)10(17)14-7-4-13-15(5-7)6-9(16)12-2/h4-5,8H,3,6,11H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyRJEANHMIJOOOQF-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.70
Rot. Bonds5

About 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide

2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide (PubChem CID 54863171) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
PubChem CID54863171
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
SMILESCCC(N)C(=O)Nc1cnn(CC(=O)NC)c1
InChIInChI=1S/C10H17N5O2/c1-3-8(11)10(17)14-7-4-13-15(5-7)6-9(16)12-2/h4-5,8H,3,6,11H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyRJEANHMIJOOOQF-UHFFFAOYSA-N
XLogP-0.70
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
CID 81082805
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871213
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
CID 95297420
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
CID 119328796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide?
The IUPAC name of 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide (CID 54863171) is 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide?
The canonical SMILES for 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide is CCC(N)C(=O)Nc1cnn(CC(=O)NC)c1.
What is the InChIKey of 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide?
The InChIKey is RJEANHMIJOOOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-8(11)10(17)14-7-4-13-15(5-7)6-9(16)12-2/h4-5,8H,3,6,11H2,1-2H3,(H,12,16)(H,14,17).
What are the key properties of 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide?
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide has a molecular weight of 239.28 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 54863171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).