1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide

C11H12N6O2 — CID 66623034

IUPAC1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide
SMILESNC(=O)c1ncn(-c2cc(C3CC3)[nH]n2)c1C(N)=O
InChIInChI=1S/C11H12N6O2/c12-10(18)8-9(11(13)19)17(4-14-8)7-3-6(15-16-7)5-1-2-5/h3-5H,1-2H2,(H2,12,18)(H2,13,19)(H,15,16)
InChIKeyWRCCVLCLCHQIKC-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.33
Rot. Bonds4

About 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide

1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide (PubChem CID 66623034) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide
PubChem CID66623034
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide
SMILESNC(=O)c1ncn(-c2cc(C3CC3)[nH]n2)c1C(N)=O
InChIInChI=1S/C11H12N6O2/c12-10(18)8-9(11(13)19)17(4-14-8)7-3-6(15-16-7)5-1-2-5/h3-5H,1-2H2,(H2,12,18)(H2,13,19)(H,15,16)
InChIKeyWRCCVLCLCHQIKC-UHFFFAOYSA-N
XLogP-0.33
TPSA132.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide (CID 66623034) is 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide is NC(=O)c1ncn(-c2cc(C3CC3)[nH]n2)c1C(N)=O.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide?
The InChIKey is WRCCVLCLCHQIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c12-10(18)8-9(11(13)19)17(4-14-8)7-3-6(15-16-7)5-1-2-5/h3-5H,1-2H2,(H2,12,18)(H2,13,19)(H,15,16).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide?
1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide has a molecular weight of 260.26 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).