4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid

C10H16N4O3 — CID 64889164

IUPAC4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid
SMILESCN(Cc1cn[nH]c1)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C10H16N4O3/c1-14(6-7-4-12-13-5-7)10(17)8(11)2-3-9(15)16/h4-5,8H,2-3,6,11H2,1H3,(H,12,13)(H,15,16)
InChIKeyBHNKUJQTPWSLPI-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.44
Rot. Bonds6

About 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid

4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid (PubChem CID 64889164) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid
PubChem CID64889164
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid
SMILESCN(Cc1cn[nH]c1)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C10H16N4O3/c1-14(6-7-4-12-13-5-7)10(17)8(11)2-3-9(15)16/h4-5,8H,2-3,6,11H2,1H3,(H,12,13)(H,15,16)
InChIKeyBHNKUJQTPWSLPI-UHFFFAOYSA-N
XLogP-0.44
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 77016051
3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 80552053
4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
CID 64890889
4-amino-5-[(3-hydroxyphenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64890296
N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 79202997
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 77016021
3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65226677
(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid
CID 153453865
2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 114290739
4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890077
3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829979

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid (CID 64889164) is 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid is CN(Cc1cn[nH]c1)C(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid?
The InChIKey is BHNKUJQTPWSLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-14(6-7-4-12-13-5-7)10(17)8(11)2-3-9(15)16/h4-5,8H,2-3,6,11H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid?
4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64889164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).