1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid

C19H21N5O3 — CID 119206679

IUPAC1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccccc1-n1ccc(C(=O)O)n1
InChIInChI=1S/C19H21N5O3/c1-12-14(13(2)23(3)21-12)8-9-18(25)20-15-6-4-5-7-17(15)24-11-10-16(22-24)19(26)27/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)(H,26,27)
InChIKeyYAEJSZCOQLEOGI-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.49
Rot. Bonds6

About 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid

1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 119206679) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid
PubChem CID119206679
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccccc1-n1ccc(C(=O)O)n1
InChIInChI=1S/C19H21N5O3/c1-12-14(13(2)23(3)21-12)8-9-18(25)20-15-6-4-5-7-17(15)24-11-10-16(22-24)19(26)27/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)(H,26,27)
InChIKeyYAEJSZCOQLEOGI-UHFFFAOYSA-N
XLogP2.49
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(butanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 167950435
1-[2-(hexanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206620
1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206710
1-[2-(6-acetamidohexanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206691
1-[2-[(2-butoxyacetyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 119206655
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 75479273
1-[2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206644
1-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 119206732
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55538702
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24649219
N-(2-amino-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119421250
ethyl 1-[2-[4-(methylamino)butanoylamino]phenyl]pyrazole-3-carboxylate;hydrochloride
CID 119779887

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid (CID 119206679) is 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid is Cc1nn(C)c(C)c1CCC(=O)Nc1ccccc1-n1ccc(C(=O)O)n1.
What is the InChIKey of 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is YAEJSZCOQLEOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-14(13(2)23(3)21-12)8-9-18(25)20-15-6-4-5-7-17(15)24-11-10-16(22-24)19(26)27/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)(H,26,27).
What are the key properties of 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid?
1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 119206679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).