N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide

C20H21N3O2S — CID 97186747

IUPACN-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1-c1ccccc1)N(Cc1ccsc1)C[C@@H]1CCCO1
InChIInChI=1S/C20H21N3O2S/c24-20(18-11-21-22-19(18)16-5-2-1-3-6-16)23(12-15-8-10-26-14-15)13-17-7-4-9-25-17/h1-3,5-6,8,10-11,14,17H,4,7,9,12-13H2,(H,21,22)/t17-/m0/s1
InChIKeyTZRNEVMVFABCCJ-KRWDZBQOSA-N
MW367.47 g/mol
LogP3.96
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 97186747) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID97186747
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1-c1ccccc1)N(Cc1ccsc1)C[C@@H]1CCCO1
InChIInChI=1S/C20H21N3O2S/c24-20(18-11-21-22-19(18)16-5-2-1-3-6-16)23(12-15-8-10-26-14-15)13-17-7-4-9-25-17/h1-3,5-6,8,10-11,14,17H,4,7,9,12-13H2,(H,21,22)/t17-/m0/s1
InChIKeyTZRNEVMVFABCCJ-KRWDZBQOSA-N
XLogP3.96
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
CID 50981472
5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126426959
5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 49490501
N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 56912083
3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-3-ylmethyl)urea
CID 119074829
3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 126453947
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 99930542
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 42498720
1,3-dimethyl-2,6-dioxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyrimidine-4-carboxamide
CID 72921658
N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide
CID 99940406
1-[[(2S)-oxolan-2-yl]methyl]-3-(2-pyridin-4-ylethyl)-1-(thiophen-3-ylmethyl)urea
CID 126450055

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide (CID 97186747) is N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(c1cn[nH]c1-c1ccccc1)N(Cc1ccsc1)C[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is TZRNEVMVFABCCJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-20(18-11-21-22-19(18)16-5-2-1-3-6-16)23(12-15-8-10-26-14-15)13-17-7-4-9-25-17/h1-3,5-6,8,10-11,14,17H,4,7,9,12-13H2,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97186747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).