(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide

C18H23N5O — CID 98216077

IUPAC(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2[C@H]3CCC[C@H]23)n(-c2ncccn2)n1
InChIInChI=1S/C18H23N5O/c1-18(2,3)13-10-14(23(22-13)17-19-8-5-9-20-17)21-16(24)15-11-6-4-7-12(11)15/h5,8-12,15H,4,6-7H2,1-3H3,(H,21,24)/t11-,12-/m0/s1
InChIKeyHPJKIWSSZVJTPO-RYUDHWBXSA-N
MW325.42 g/mol
LogP2.94
Rot. Bonds3

About (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide

(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 98216077) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID98216077
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2[C@H]3CCC[C@H]23)n(-c2ncccn2)n1
InChIInChI=1S/C18H23N5O/c1-18(2,3)13-10-14(23(22-13)17-19-8-5-9-20-17)21-16(24)15-11-6-4-7-12(11)15/h5,8-12,15H,4,6-7H2,1-3H3,(H,21,24)/t11-,12-/m0/s1
InChIKeyHPJKIWSSZVJTPO-RYUDHWBXSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide
CID 95279930
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 56573611
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
CID 154747614
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide
CID 42731406
(Z)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56570299
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 56570632
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 56570330
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 56573549
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 56534380
(E)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 56573444
N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 136636609
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 56534371

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 98216077) is (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide is CC(C)(C)c1cc(NC(=O)C2[C@H]3CCC[C@H]23)n(-c2ncccn2)n1.
What is the InChIKey of (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is HPJKIWSSZVJTPO-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H23N5O/c1-18(2,3)13-10-14(23(22-13)17-19-8-5-9-20-17)21-16(24)15-11-6-4-7-12(11)15/h5,8-12,15H,4,6-7H2,1-3H3,(H,21,24)/t11-,12-/m0/s1.
What are the key properties of (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide?
(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 98216077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).