1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C10H13N3O3 — CID 62095591

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C10H13N3O3/c1-6-7(5-12-13-6)4-11-8(14)10(2-3-10)9(15)16/h5H,2-4H2,1H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyFZHGJOZCKBQIBD-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.20
Rot. Bonds4

About 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62095591) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62095591
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C10H13N3O3/c1-6-7(5-12-13-6)4-11-8(14)10(2-3-10)9(15)16/h5H,2-4H2,1H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyFZHGJOZCKBQIBD-UHFFFAOYSA-N
XLogP0.20
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80598871
4-(N'-hydroxycarbamimidoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxane-4-carboxamide
CID 76921523
1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 64555262
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 110438266
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766749
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82821092
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147373
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
N-[(5-methyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
CID 107989822

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 62095591) is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is Cc1[nH]ncc1CNC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is FZHGJOZCKBQIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-7(5-12-13-6)4-11-8(14)10(2-3-10)9(15)16/h5H,2-4H2,1H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).