2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid

C12H13N5O3 — CID 107586035

IUPAC2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
SMILESCc1cncc(NC(=O)Nc2cnn(CC(=O)O)c2)c1
InChIInChI=1S/C12H13N5O3/c1-8-2-9(4-13-3-8)15-12(20)16-10-5-14-17(6-10)7-11(18)19/h2-6H,7H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyYPURNASGMDZPBF-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.32
Rot. Bonds4

About 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid

2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid (PubChem CID 107586035) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
PubChem CID107586035
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
SMILESCc1cncc(NC(=O)Nc2cnn(CC(=O)O)c2)c1
InChIInChI=1S/C12H13N5O3/c1-8-2-9(4-13-3-8)15-12(20)16-10-5-14-17(6-10)7-11(18)19/h2-6H,7H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyYPURNASGMDZPBF-UHFFFAOYSA-N
XLogP1.32
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(2,6-dibromophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107601737
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
2-[4-[(3-chloro-2-methylphenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61182770
2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 65499226
2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 107584595
1-butyl-3-(5-methyl-3-pyridinyl)urea
CID 103739077
2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 62522870

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid (CID 107586035) is 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid is Cc1cncc(NC(=O)Nc2cnn(CC(=O)O)c2)c1.
What is the InChIKey of 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is YPURNASGMDZPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-2-9(4-13-3-8)15-12(20)16-10-5-14-17(6-10)7-11(18)19/h2-6H,7H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid?
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 275.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 107586035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).