N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C12H19N3O2 — CID 47244860

IUPACN-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCCO2)n[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)10-6-11(15-14-10)12(16)13-7-9-4-3-5-17-9/h6,8-9H,3-5,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyABJJXESERUJXTG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.44
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 47244860) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID47244860
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCCO2)n[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)10-6-11(15-14-10)12(16)13-7-9-4-3-5-17-9/h6,8-9H,3-5,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyABJJXESERUJXTG-UHFFFAOYSA-N
XLogP1.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[[(2R)-oxolan-2-yl]methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 97416216
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95301857
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19510216
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 47244860) is N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCC2CCCO2)n[nH]1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ABJJXESERUJXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)10-6-11(15-14-10)12(16)13-7-9-4-3-5-17-9/h6,8-9H,3-5,7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47244860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).