(1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C16H24N4O2 — CID 168678798

IUPAC(1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)NC(=O)C1[C@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)C[C@@H]12
InChIInChI=1S/C16H24N4O2/c1-8(2)12-5-13(19-18-12)16(22)20-6-10-11(7-20)14(10)15(21)17-9(3)4/h5,8-11,14H,6-7H2,1-4H3,(H,17,21)(H,18,19)/t10-,11+,14?
InChIKeyIXZBELFRWCXTJD-BVUQATHDSA-N
MW304.39 g/mol
LogP1.38
Rot. Bonds4

About (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 168678798) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID168678798
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)NC(=O)C1[C@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)C[C@@H]12
InChIInChI=1S/C16H24N4O2/c1-8(2)12-5-13(19-18-12)16(22)20-6-10-11(7-20)14(10)15(21)17-9(3)4/h5,8-11,14H,6-7H2,1-4H3,(H,17,21)(H,18,19)/t10-,11+,14?
InChIKeyIXZBELFRWCXTJD-BVUQATHDSA-N
XLogP1.38
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

Kdm5A-IN-1
CID 119081409
US10022354, Example 152
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N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
US10022354, Example 123
CID 121279532
US10022354, Example 183
CID 121279732
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 137638363
US10022354, Example 231
CID 121279598
US10022354, Example 172
CID 121279599
US10022354, Example 230
CID 121279605

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 168678798) is (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)NC(=O)C1[C@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)C[C@@H]12.
What is the InChIKey of (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is IXZBELFRWCXTJD-BVUQATHDSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-8(2)12-5-13(19-18-12)16(22)20-6-10-11(7-20)14(10)15(21)17-9(3)4/h5,8-11,14H,6-7H2,1-4H3,(H,17,21)(H,18,19)/t10-,11+,14?.
What are the key properties of (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 168678798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).