N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide

C15H18N4O2 — CID 129472204

IUPACN-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cn[nH]c1[C@H]1CCOC1
InChIInChI=1S/C15H18N4O2/c1-19(9-11-2-5-16-6-3-11)15(20)13-8-17-18-14(13)12-4-7-21-10-12/h2-3,5-6,8,12H,4,7,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyMLCJGTLXDMUPQK-LBPRGKRZSA-N
MW286.33 g/mol
LogP1.58
Rot. Bonds4

About N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide

N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 129472204) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID129472204
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cn[nH]c1[C@H]1CCOC1
InChIInChI=1S/C15H18N4O2/c1-19(9-11-2-5-16-6-3-11)15(20)13-8-17-18-14(13)12-4-7-21-10-12/h2-3,5-6,8,12H,4,7,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyMLCJGTLXDMUPQK-LBPRGKRZSA-N
XLogP1.58
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472232
N-(furan-2-ylmethyl)-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472353
N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 128968053
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129477024
N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129477803
1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
CID 105448069
N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472950
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
CID 70763824
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472298
N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 128970509
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95805304

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide (CID 129472204) is N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide is CN(Cc1ccncc1)C(=O)c1cn[nH]c1[C@H]1CCOC1.
What is the InChIKey of N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MLCJGTLXDMUPQK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19(9-11-2-5-16-6-3-11)15(20)13-8-17-18-14(13)12-4-7-21-10-12/h2-3,5-6,8,12H,4,7,9-10H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide?
N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129472204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).