4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide

C9H12N4O2 — CID 90105859

IUPAC4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2cn[nH]c2C(N)=O)CC1
InChIInChI=1S/C9H12N4O2/c1-9(2-3-9)8(15)12-5-4-11-13-6(5)7(10)14/h4H,2-3H2,1H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyWBQFVISNIPMBGG-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.25
Rot. Bonds3

About 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide

4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 90105859) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID90105859
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2cn[nH]c2C(N)=O)CC1
InChIInChI=1S/C9H12N4O2/c1-9(2-3-9)8(15)12-5-4-11-13-6(5)7(10)14/h4H,2-3H2,1H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyWBQFVISNIPMBGG-UHFFFAOYSA-N
XLogP0.25
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide (CID 90105859) is 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide is CC1(C(=O)Nc2cn[nH]c2C(N)=O)CC1.
What is the InChIKey of 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is WBQFVISNIPMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-9(2-3-9)8(15)12-5-4-11-13-6(5)7(10)14/h4H,2-3H2,1H3,(H2,10,14)(H,11,13)(H,12,15).
What are the key properties of 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 208.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90105859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).