N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

C19H27N7O — CID 42510746

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)n[nH]1
InChIInChI=1S/C19H27N7O/c1-12(2)17-20-6-7-26(17)11-14-8-15(24-23-14)18(27)21-10-13-9-16(25-22-13)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,21,27)(H,22,25)(H,23,24)
InChIKeyZNBRZBWLBALERN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.73
Rot. Bonds6

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42510746) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42510746
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)n[nH]1
InChIInChI=1S/C19H27N7O/c1-12(2)17-20-6-7-26(17)11-14-8-15(24-23-14)18(27)21-10-13-9-16(25-22-13)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,21,27)(H,22,25)(H,23,24)
InChIKeyZNBRZBWLBALERN-UHFFFAOYSA-N
XLogP2.73
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42510746) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZNBRZBWLBALERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-12(2)17-20-6-7-26(17)11-14-8-15(24-23-14)18(27)21-10-13-9-16(25-22-13)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,21,27)(H,22,25)(H,23,24).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42510746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).