2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C14H19N5O3 — CID 19489681

IUPAC2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCc1nn(C)cc1C(C)NC(=O)C(C)n1nccc1C(=O)O
InChIInChI=1S/C14H19N5O3/c1-8(11-7-18(4)17-9(11)2)16-13(20)10(3)19-12(14(21)22)5-6-15-19/h5-8,10H,1-4H3,(H,16,20)(H,21,22)
InChIKeyKQHLTHYWPTZJLO-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.06
Rot. Bonds5

About 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19489681) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19489681
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCc1nn(C)cc1C(C)NC(=O)C(C)n1nccc1C(=O)O
InChIInChI=1S/C14H19N5O3/c1-8(11-7-18(4)17-9(11)2)16-13(20)10(3)19-12(14(21)22)5-6-15-19/h5-8,10H,1-4H3,(H,16,20)(H,21,22)
InChIKeyKQHLTHYWPTZJLO-UHFFFAOYSA-N
XLogP1.06
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

2-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489660
(2R)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 124737701
(2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 124737702
2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489814
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide
CID 51390270
2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19488055
2-[1-(butylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489815
2-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489807
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487828
2-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489808
2-[1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489779

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19489681) is 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is Cc1nn(C)cc1C(C)NC(=O)C(C)n1nccc1C(=O)O.
What is the InChIKey of 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is KQHLTHYWPTZJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8(11-7-18(4)17-9(11)2)16-13(20)10(3)19-12(14(21)22)5-6-15-19/h5-8,10H,1-4H3,(H,16,20)(H,21,22).
What are the key properties of 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19489681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).