N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C15H18N6O — CID 122565506

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cnn2ccn(C)c12)C1CC1
InChIInChI=1S/C15H18N6O/c1-19-6-5-16-13(19)12(10-3-4-10)18-14(22)11-9-17-21-8-7-20(2)15(11)21/h5-10,12H,3-4H2,1-2H3,(H,18,22)
InChIKeyDDYQWLVWPGEQOI-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.29
Rot. Bonds4

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 122565506) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID122565506
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cnn2ccn(C)c12)C1CC1
InChIInChI=1S/C15H18N6O/c1-19-6-5-16-13(19)12(10-3-4-10)18-14(22)11-9-17-21-8-7-20(2)15(11)21/h5-10,12H,3-4H2,1-2H3,(H,18,22)
InChIKeyDDYQWLVWPGEQOI-UHFFFAOYSA-N
XLogP1.29
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 122565506) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccnc1C(NC(=O)c1cnn2ccn(C)c12)C1CC1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is DDYQWLVWPGEQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-19-6-5-16-13(19)12(10-3-4-10)18-14(22)11-9-17-21-8-7-20(2)15(11)21/h5-10,12H,3-4H2,1-2H3,(H,18,22).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 122565506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).