1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C11H15N3O3 — CID 115449752

IUPAC1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C(=O)NCC2(C(=O)O)CC2)n(C)n1
InChIInChI=1S/C11H15N3O3/c1-7-5-8(14(2)13-7)9(15)12-6-11(3-4-11)10(16)17/h5H,3-4,6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyPTTDRPVPUMLGGB-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.32
Rot. Bonds4

About 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449752) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449752
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C(=O)NCC2(C(=O)O)CC2)n(C)n1
InChIInChI=1S/C11H15N3O3/c1-7-5-8(14(2)13-7)9(15)12-6-11(3-4-11)10(16)17/h5H,3-4,6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyPTTDRPVPUMLGGB-UHFFFAOYSA-N
XLogP0.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
1-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433032
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 119404493
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 114217953
1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543687
1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449376
2-[2-[(2,5-dimethylpyrazole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242434
1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 114819162
2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid
CID 66127117
1-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445107

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449752) is 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1cc(C(=O)NCC2(C(=O)O)CC2)n(C)n1.
What is the InChIKey of 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is PTTDRPVPUMLGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-5-8(14(2)13-7)9(15)12-6-11(3-4-11)10(16)17/h5H,3-4,6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).