2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid

C13H17N5O3 — CID 19492095

IUPAC2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCc1c(CNC(=O)CCn2nccc2C(=O)O)cnn1C
InChIInChI=1S/C13H17N5O3/c1-9-10(8-16-17(9)2)7-14-12(19)4-6-18-11(13(20)21)3-5-15-18/h3,5,8H,4,6-7H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyLATZKPCBDHBCKF-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.33
Rot. Bonds6

About 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid

2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid (PubChem CID 19492095) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
PubChem CID19492095
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCc1c(CNC(=O)CCn2nccc2C(=O)O)cnn1C
InChIInChI=1S/C13H17N5O3/c1-9-10(8-16-17(9)2)7-14-12(19)4-6-18-11(13(20)21)3-5-15-18/h3,5,8H,4,6-7H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyLATZKPCBDHBCKF-UHFFFAOYSA-N
XLogP0.33
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622573
3-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19561684
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555756
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 4866924
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
CID 106033595
2-[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482808
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569842
1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550042
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
2-propylpyrazole-3-carboxylic acid
CID 7017775

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid (CID 19492095) is 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid is Cc1c(CNC(=O)CCn2nccc2C(=O)O)cnn1C.
What is the InChIKey of 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The InChIKey is LATZKPCBDHBCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-9-10(8-16-17(9)2)7-14-12(19)4-6-18-11(13(20)21)3-5-15-18/h3,5,8H,4,6-7H2,1-2H3,(H,14,19)(H,20,21).
What are the key properties of 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid?
2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19492095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).