2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid

C14H19N5O3 — CID 166376747

IUPAC2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1CNC(=O)c1cnn(C)c1C
InChIInChI=1S/C14H19N5O3/c1-8-11(10(3)19(17-8)7-13(20)21)5-15-14(22)12-6-16-18(4)9(12)2/h6H,5,7H2,1-4H3,(H,15,22)(H,20,21)
InChIKeyMMYOJZOINFTSMZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.56
Rot. Bonds5

About 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid

2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid (PubChem CID 166376747) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
PubChem CID166376747
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1CNC(=O)c1cnn(C)c1C
InChIInChI=1S/C14H19N5O3/c1-8-11(10(3)19(17-8)7-13(20)21)5-15-14(22)12-6-16-18(4)9(12)2/h6H,5,7H2,1-4H3,(H,15,22)(H,20,21)
InChIKeyMMYOJZOINFTSMZ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 167879215
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19282125
6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284540
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 167978492
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107322076
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 66171165
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid (CID 166376747) is 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid is Cc1nn(CC(=O)O)c(C)c1CNC(=O)c1cnn(C)c1C.
What is the InChIKey of 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The InChIKey is MMYOJZOINFTSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-11(10(3)19(17-8)7-13(20)21)5-15-14(22)12-6-16-18(4)9(12)2/h6H,5,7H2,1-4H3,(H,15,22)(H,20,21).
What are the key properties of 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid has a molecular weight of 305.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 166376747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).