1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide

C16H26N4O3 — CID 124980441

IUPAC1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(CC2CCN([C@H]3COC[C@@H]3O)CC2)c1
InChIInChI=1S/C16H26N4O3/c1-18(2)16(22)13-7-17-20(9-13)8-12-3-5-19(6-4-12)14-10-23-11-15(14)21/h7,9,12,14-15,21H,3-6,8,10-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyMIWZKQYULJKJBN-GJZGRUSLSA-N
MW322.41 g/mol
LogP0.06
Rot. Bonds4

About 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide

1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide (PubChem CID 124980441) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
PubChem CID124980441
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(CC2CCN([C@H]3COC[C@@H]3O)CC2)c1
InChIInChI=1S/C16H26N4O3/c1-18(2)16(22)13-7-17-20(9-13)8-12-3-5-19(6-4-12)14-10-23-11-15(14)21/h7,9,12,14-15,21H,3-6,8,10-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyMIWZKQYULJKJBN-GJZGRUSLSA-N
XLogP0.06
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide with MolForge

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Related Compounds

1-[[1-[(3R,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide
CID 124980440
1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826382
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 170994996
1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826381
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
1-(thietan-3-ylmethyl)pyrazole-4-carboxylic acid
CID 84668330
2-chloro-1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanone
CID 122240834
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide (CID 124980441) is 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide is CN(C)C(=O)c1cnn(CC2CCN([C@H]3COC[C@@H]3O)CC2)c1.
What is the InChIKey of 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide?
The InChIKey is MIWZKQYULJKJBN-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-18(2)16(22)13-7-17-20(9-13)8-12-3-5-19(6-4-12)14-10-23-11-15(14)21/h7,9,12,14-15,21H,3-6,8,10-11H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide?
1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3S,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]methyl]-N,N-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 124980441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).