1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C14H19N5O3 — CID 19624339

IUPAC1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCn1cc(CNC(=O)C(C)n2ccc(C(=O)O)n2)c(C)n1
InChIInChI=1S/C14H19N5O3/c1-4-18-8-11(9(2)16-18)7-15-13(20)10(3)19-6-5-12(17-19)14(21)22/h5-6,8,10H,4,7H2,1-3H3,(H,15,20)(H,21,22)
InChIKeyUZNKXEAJHSOHBL-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.98
Rot. Bonds6

About 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19624339) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19624339
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCn1cc(CNC(=O)C(C)n2ccc(C(=O)O)n2)c(C)n1
InChIInChI=1S/C14H19N5O3/c1-4-18-8-11(9(2)16-18)7-15-13(20)10(3)19-6-5-12(17-19)14(21)22/h5-6,8,10H,4,7H2,1-3H3,(H,15,20)(H,21,22)
InChIKeyUZNKXEAJHSOHBL-UHFFFAOYSA-N
XLogP0.98
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624363
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534375
1-[1-[3-(4-chloro-3-methylpyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624364
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19528489
1-[1-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506405
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264533
1-[1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624355
1-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504430
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 19288572
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473366
4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 122559335
1-[1-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504445

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19624339) is 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is CCn1cc(CNC(=O)C(C)n2ccc(C(=O)O)n2)c(C)n1.
What is the InChIKey of 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is UZNKXEAJHSOHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-18-8-11(9(2)16-18)7-15-13(20)10(3)19-6-5-12(17-19)14(21)22/h5-6,8,10H,4,7H2,1-3H3,(H,15,20)(H,21,22).
What are the key properties of 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19624339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).