2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C12H18N4O3 — CID 64815607

IUPAC2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCn1nccc1CNC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-16-8(5-6-14-16)7-13-12(19)15-10-4-2-3-9(10)11(17)18/h5-6,9-10H,2-4,7H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyJAPBIDGIFBYAOB-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.47
Rot. Bonds4

About 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64815607) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64815607
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCn1nccc1CNC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-16-8(5-6-14-16)7-13-12(19)15-10-4-2-3-9(10)11(17)18/h5-6,9-10H,2-4,7H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyJAPBIDGIFBYAOB-UHFFFAOYSA-N
XLogP0.47
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 82765849
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63303718
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996
(1S,6R)-6-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 26871279
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106421097
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 64815607) is 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is Cn1nccc1CNC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JAPBIDGIFBYAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16-8(5-6-14-16)7-13-12(19)15-10-4-2-3-9(10)11(17)18/h5-6,9-10H,2-4,7H2,1H3,(H,17,18)(H2,13,15,19).
What are the key properties of 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).