(1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C21H24N6O — CID 56912386

IUPAC(1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1cc(CNC(=O)C2[C@H]3CN(Cc4cnn(-c5ccccc5)c4)C[C@@H]23)cn1
InChIInChI=1S/C21H24N6O/c1-25-10-15(8-23-25)7-22-21(28)20-18-13-26(14-19(18)20)11-16-9-24-27(12-16)17-5-3-2-4-6-17/h2-6,8-10,12,18-20H,7,11,13-14H2,1H3,(H,22,28)/t18-,19+,20?
InChIKeyTYBQVWWCXJKMCR-YOFSQIOKSA-N
MW376.46 g/mol
LogP1.60
Rot. Bonds6

About (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 56912386) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID56912386
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name(1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1cc(CNC(=O)C2[C@H]3CN(Cc4cnn(-c5ccccc5)c4)C[C@@H]23)cn1
InChIInChI=1S/C21H24N6O/c1-25-10-15(8-23-25)7-22-21(28)20-18-13-26(14-19(18)20)11-16-9-24-27(12-16)17-5-3-2-4-6-17/h2-6,8-10,12,18-20H,7,11,13-14H2,1H3,(H,22,28)/t18-,19+,20?
InChIKeyTYBQVWWCXJKMCR-YOFSQIOKSA-N
XLogP1.60
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

sodium cis-(1R,4S)-2,3-dimethyl-4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 166323366
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 32720733
(3R)-1-benzyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 42032570
(1S,5R,6R)-N-benzyl-3-[(1-methylpyrazol-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133143196
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 94388476

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 56912386) is (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is Cn1cc(CNC(=O)C2[C@H]3CN(Cc4cnn(-c5ccccc5)c4)C[C@@H]23)cn1.
What is the InChIKey of (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is TYBQVWWCXJKMCR-YOFSQIOKSA-N. The full InChI is InChI=1S/C21H24N6O/c1-25-10-15(8-23-25)7-22-21(28)20-18-13-26(14-19(18)20)11-16-9-24-27(12-16)17-5-3-2-4-6-17/h2-6,8-10,12,18-20H,7,11,13-14H2,1H3,(H,22,28)/t18-,19+,20?.
What are the key properties of (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 56912386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).