3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide

C14H16ClN5O — CID 138989844

IUPAC3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide
SMILESCC1CC(NC(=O)c2c(Cl)n[nH]c2C2CC2)c2nccn21
InChIInChI=1S/C14H16ClN5O/c1-7-6-9(13-16-4-5-20(7)13)17-14(21)10-11(8-2-3-8)18-19-12(10)15/h4-5,7-9H,2-3,6H2,1H3,(H,17,21)(H,18,19)
InChIKeyXXCAQUKALNTVAC-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.57
Rot. Bonds3

About 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide

3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide (PubChem CID 138989844) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide
PubChem CID138989844
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide
SMILESCC1CC(NC(=O)c2c(Cl)n[nH]c2C2CC2)c2nccn21
InChIInChI=1S/C14H16ClN5O/c1-7-6-9(13-16-4-5-20(7)13)17-14(21)10-11(8-2-3-8)18-19-12(10)15/h4-5,7-9H,2-3,6H2,1H3,(H,17,21)(H,18,19)
InChIKeyXXCAQUKALNTVAC-UHFFFAOYSA-N
XLogP2.57
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide (CID 138989844) is 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide is CC1CC(NC(=O)c2c(Cl)n[nH]c2C2CC2)c2nccn21.
What is the InChIKey of 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is XXCAQUKALNTVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-7-6-9(13-16-4-5-20(7)13)17-14(21)10-11(8-2-3-8)18-19-12(10)15/h4-5,7-9H,2-3,6H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide?
3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 138989844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).