2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid

C13H15N5O3 — CID 61201915

IUPAC2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCN(Cc1ccncc1)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C13H15N5O3/c1-17(7-10-2-4-14-5-3-10)13(21)16-11-6-15-18(8-11)9-12(19)20/h2-6,8H,7,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyRXQRTFIZNSFFFU-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.03
Rot. Bonds5

About 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 61201915) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID61201915
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCN(Cc1ccncc1)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C13H15N5O3/c1-17(7-10-2-4-14-5-3-10)13(21)16-11-6-15-18(8-11)9-12(19)20/h2-6,8H,7,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyRXQRTFIZNSFFFU-UHFFFAOYSA-N
XLogP1.03
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61184087
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
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1-benzyl-1-methyl-3-pyridin-4-ylurea
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2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
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2-[4-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 54994977
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
CID 120704186
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 61342243
2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61447696
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (CID 61201915) is 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is CN(Cc1ccncc1)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is RXQRTFIZNSFFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-17(7-10-2-4-14-5-3-10)13(21)16-11-6-15-18(8-11)9-12(19)20/h2-6,8H,7,9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 289.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61201915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).