3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid

C14H19N5O3 — CID 19624001

IUPAC3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCn1cc(C(C)NC(=O)c2nn(C)cc2C(=O)O)c(C)n1
InChIInChI=1S/C14H19N5O3/c1-5-19-7-10(9(3)16-19)8(2)15-13(20)12-11(14(21)22)6-18(4)17-12/h6-8H,5H2,1-4H3,(H,15,20)(H,21,22)
InChIKeyITOBGXZNRQQTRZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.13
Rot. Bonds5

About 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid

3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19624001) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19624001
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCn1cc(C(C)NC(=O)c2nn(C)cc2C(=O)O)c(C)n1
InChIInChI=1S/C14H19N5O3/c1-5-19-7-10(9(3)16-19)8(2)15-13(20)12-11(14(21)22)6-18(4)17-12/h6-8H,5H2,1-4H3,(H,15,20)(H,21,22)
InChIKeyITOBGXZNRQQTRZ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-nitrobenzamide
CID 19462806
3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853849
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476128
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477541
1-[3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19621893
3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498363
4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 19476696
3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462168
1-butyl-3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]urea
CID 19414910
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
2-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489660
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270846

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19624001) is 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid is CCn1cc(C(C)NC(=O)c2nn(C)cc2C(=O)O)c(C)n1.
What is the InChIKey of 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is ITOBGXZNRQQTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-5-19-7-10(9(3)16-19)8(2)15-13(20)12-11(14(21)22)6-18(4)17-12/h6-8H,5H2,1-4H3,(H,15,20)(H,21,22).
What are the key properties of 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid?
3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19624001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).