N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide

C20H27N3O2 — CID 99948704

IUPACN-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccnn1C(C)C
InChIInChI=1S/C20H27N3O2/c1-15(2)23-19(10-11-21-23)20(24)22(14-18-9-6-12-25-18)13-17-8-5-4-7-16(17)3/h4-5,7-8,10-11,15,18H,6,9,12-14H2,1-3H3/t18-/m0/s1
InChIKeyVPFDPXLOAOKQCM-SFHVURJKSA-N
MW341.46 g/mol
LogP3.59
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 99948704) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID99948704
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccnn1C(C)C
InChIInChI=1S/C20H27N3O2/c1-15(2)23-19(10-11-21-23)20(24)22(14-18-9-6-12-25-18)13-17-8-5-4-7-16(17)3/h4-5,7-8,10-11,15,18H,6,9,12-14H2,1-3H3/t18-/m0/s1
InChIKeyVPFDPXLOAOKQCM-SFHVURJKSA-N
XLogP3.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45193260
N-[(2-hydroxyphenyl)methyl]-1,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
CID 95771309
N-[(2-hydroxyphenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520041
N-[(2-hydroxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520023
4-methyl-N-[[2-[(2-methylphenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93146634
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 131897549
1-[(2-methylphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 126441875
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 74246165
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 55763179
N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 94489587
N-[(2-methylphenyl)methyl]-2-(3-oxo-1H-indazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 74248985

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 99948704) is N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccnn1C(C)C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is VPFDPXLOAOKQCM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)23-19(10-11-21-23)20(24)22(14-18-9-6-12-25-18)13-17-8-5-4-7-16(17)3/h4-5,7-8,10-11,15,18H,6,9,12-14H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 99948704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).