trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C16H25N3O2 — CID 128644123

IUPACtrans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)NCC2(O)CCCC2(C)C)cn1
InChIInChI=1S/C16H25N3O2/c1-15(2)5-4-6-16(15,21)10-17-14(20)13-7-12(13)11-8-18-19(3)9-11/h8-9,12-13,21H,4-7,10H2,1-3H3,(H,17,20)/t12-,13+,16?/m0/s1
InChIKeyQHIQBZHXMDWCEU-FTLRAWMYSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds4

About trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 128644123) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID128644123
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametrans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)NCC2(O)CCCC2(C)C)cn1
InChIInChI=1S/C16H25N3O2/c1-15(2)5-4-6-16(15,21)10-17-14(20)13-7-12(13)11-8-18-19(3)9-11/h8-9,12-13,21H,4-7,10H2,1-3H3,(H,17,20)/t12-,13+,16?/m0/s1
InChIKeyQHIQBZHXMDWCEU-FTLRAWMYSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 128644123) is trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@@H]2C[C@H]2C(=O)NCC2(O)CCCC2(C)C)cn1.
What is the InChIKey of trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is QHIQBZHXMDWCEU-FTLRAWMYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-15(2)5-4-6-16(15,21)10-17-14(20)13-7-12(13)11-8-18-19(3)9-11/h8-9,12-13,21H,4-7,10H2,1-3H3,(H,17,20)/t12-,13+,16?/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 128644123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).