1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide

C17H23N5O2 — CID 136586699

IUPAC1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1cnn(C2CCC2)c1
InChIInChI=1S/C17H23N5O2/c23-17(14-10-21-22(11-14)15-4-1-5-15)18-7-12-3-2-6-24-16(12)13-8-19-20-9-13/h8-12,15-16H,1-7H2,(H,18,23)(H,19,20)/t12-,16+/m0/s1
InChIKeyBBNZLKJGJHRARJ-BLLLJJGKSA-N
MW329.40 g/mol
LogP2.23
Rot. Bonds5

About 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide

1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 136586699) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID136586699
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1cnn(C2CCC2)c1
InChIInChI=1S/C17H23N5O2/c23-17(14-10-21-22(11-14)15-4-1-5-15)18-7-12-3-2-6-24-16(12)13-8-19-20-9-13/h8-12,15-16H,1-7H2,(H,18,23)(H,19,20)/t12-,16+/m0/s1
InChIKeyBBNZLKJGJHRARJ-BLLLJJGKSA-N
XLogP2.23
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

8-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]indolizine-2-carboxamide
CID 138024151
4-chloro-1,5-dimethyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-3-carboxamide
CID 167760808
3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
CID 154794885
2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide
CID 126826590
3-fluoro-4-methoxy-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]benzamide
CID 154798360
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794606
4,5-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 154762252
3-bromo-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrazole-5-carboxamide
CID 154762230
2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide
CID 167843966
3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide
CID 154799222
5,7-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 154762232
5-fluoro-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 136586669

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide (CID 136586699) is 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide is O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is BBNZLKJGJHRARJ-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(14-10-21-22(11-14)15-4-1-5-15)18-7-12-3-2-6-24-16(12)13-8-19-20-9-13/h8-12,15-16H,1-7H2,(H,18,23)(H,19,20)/t12-,16+/m0/s1.
What are the key properties of 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide?
1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136586699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).