N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide

C13H21N3O5S — CID 138048472

IUPACN-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
SMILESCOCC(C)S(=O)(=O)NC(=O)c1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C13H21N3O5S/c1-9(8-20-2)22(18,19)16-13(17)12-7-11(14-15-12)10-3-5-21-6-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQFZWPZSKGCTWKY-UHFFFAOYSA-N
MW331.39 g/mol
LogP0.40
Rot. Bonds6

About N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide

N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 138048472) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID138048472
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC NameN-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
SMILESCOCC(C)S(=O)(=O)NC(=O)c1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C13H21N3O5S/c1-9(8-20-2)22(18,19)16-13(17)12-7-11(14-15-12)10-3-5-21-6-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQFZWPZSKGCTWKY-UHFFFAOYSA-N
XLogP0.40
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 166264435
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate
CID 47158124
N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119495448
5-cyclopropyl-N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]-1H-pyrazole-3-carboxamide
CID 51853296
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine
CID 105463302
1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092194
N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 99704181
2-cyclopentyl-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-4-methyl-1,3-thiazole-5-carboxamide
CID 99812788
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
5-cyclopropyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1H-pyrazole-3-carboxamide
CID 95621160

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide (CID 138048472) is N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide is COCC(C)S(=O)(=O)NC(=O)c1cc(C2CCOCC2)[nH]n1.
What is the InChIKey of N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is QFZWPZSKGCTWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-9(8-20-2)22(18,19)16-13(17)12-7-11(14-15-12)10-3-5-21-6-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide?
N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 138048472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).