2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid

C13H17N5O3 — CID 119346629

IUPAC2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC(=O)O)[nH]n1
InChIInChI=1S/C13H17N5O3/c1-7-12(8(2)18(4)16-7)9-5-10(15-14-9)13(21)17(3)6-11(19)20/h5H,6H2,1-4H3,(H,14,15)(H,19,20)
InChIKeyFDHQAQNHIHQUGC-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.58
Rot. Bonds4

About 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid

2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid (PubChem CID 119346629) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid
PubChem CID119346629
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC(=O)O)[nH]n1
InChIInChI=1S/C13H17N5O3/c1-7-12(8(2)18(4)16-7)9-5-10(15-14-9)13(21)17(3)6-11(19)20/h5H,6H2,1-4H3,(H,14,15)(H,19,20)
InChIKeyFDHQAQNHIHQUGC-UHFFFAOYSA-N
XLogP0.58
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid (CID 119346629) is 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid is Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC(=O)O)[nH]n1.
What is the InChIKey of 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid?
The InChIKey is FDHQAQNHIHQUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-7-12(8(2)18(4)16-7)9-5-10(15-14-9)13(21)17(3)6-11(19)20/h5H,6H2,1-4H3,(H,14,15)(H,19,20).
What are the key properties of 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid?
2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 119346629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).