1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 81361803

IUPAC1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCn1cc(C(=O)NCC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C12H17N3O3/c1-15-7-9(6-14-15)10(16)13-8-12(11(17)18)4-2-3-5-12/h6-7H,2-5,8H2,1H3,(H,13,16)(H,17,18)
InChIKeyKXQWMCZEDCAVRF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.79
Rot. Bonds4

About 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81361803) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81361803
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCn1cc(C(=O)NCC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C12H17N3O3/c1-15-7-9(6-14-15)10(16)13-8-12(11(17)18)4-2-3-5-12/h6-7H,2-5,8H2,1H3,(H,13,16)(H,17,18)
InChIKeyKXQWMCZEDCAVRF-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 81361803) is 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is Cn1cc(C(=O)NCC2(C(=O)O)CCCC2)cn1.
What is the InChIKey of 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is KXQWMCZEDCAVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-7-9(6-14-15)10(16)13-8-12(11(17)18)4-2-3-5-12/h6-7H,2-5,8H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81361803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).