N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C18H20N6O — CID 126808071

IUPACN-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ncc(C3CC3)[nH]2)cnn1-c1ccccn1
InChIInChI=1S/C18H20N6O/c1-11(2)16-13(9-21-24(16)15-5-3-4-8-19-15)17(25)23-18-20-10-14(22-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H2,20,22,23,25)
InChIKeyFYKBWYASUGYMFK-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.24
Rot. Bonds5

About N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 126808071) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID126808071
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ncc(C3CC3)[nH]2)cnn1-c1ccccn1
InChIInChI=1S/C18H20N6O/c1-11(2)16-13(9-21-24(16)15-5-3-4-8-19-15)17(25)23-18-20-10-14(22-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H2,20,22,23,25)
InChIKeyFYKBWYASUGYMFK-UHFFFAOYSA-N
XLogP3.24
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 126808071) is N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ncc(C3CC3)[nH]2)cnn1-c1ccccn1.
What is the InChIKey of N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is FYKBWYASUGYMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11(2)16-13(9-21-24(16)15-5-3-4-8-19-15)17(25)23-18-20-10-14(22-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H2,20,22,23,25).
What are the key properties of N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 126808071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).