5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide

C17H21N7O — CID 45222444

IUPAC5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NC(C)c2ccncn2)n[nH]1
InChIInChI=1S/C17H21N7O/c1-11(2)16-19-6-7-24(16)9-13-8-15(23-22-13)17(25)21-12(3)14-4-5-18-10-20-14/h4-8,10-12H,9H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyLHMPOMAVUPSRPU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.06
Rot. Bonds6

About 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide

5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 45222444) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID45222444
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NC(C)c2ccncn2)n[nH]1
InChIInChI=1S/C17H21N7O/c1-11(2)16-19-6-7-24(16)9-13-8-15(23-22-13)17(25)21-12(3)14-4-5-18-10-20-14/h4-8,10-12H,9H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyLHMPOMAVUPSRPU-UHFFFAOYSA-N
XLogP2.06
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide (CID 45222444) is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cc(C(=O)NC(C)c2ccncn2)n[nH]1.
What is the InChIKey of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LHMPOMAVUPSRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11(2)16-19-6-7-24(16)9-13-8-15(23-22-13)17(25)21-12(3)14-4-5-18-10-20-14/h4-8,10-12H,9H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide?
5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 45222444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).