N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide

C8H13N3O3 — CID 104580688

IUPACN-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(CO)CO)n1
InChIInChI=1S/C8H13N3O3/c1-11-3-2-7(10-11)8(14)9-6(4-12)5-13/h2-3,6,12-13H,4-5H2,1H3,(H,9,14)
InChIKeyAAGXOFGHUDRGQR-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.50
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide

N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 104580688) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID104580688
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(CO)CO)n1
InChIInChI=1S/C8H13N3O3/c1-11-3-2-7(10-11)8(14)9-6(4-12)5-13/h2-3,6,12-13H,4-5H2,1H3,(H,9,14)
InChIKeyAAGXOFGHUDRGQR-UHFFFAOYSA-N
XLogP-1.50
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-bromo-4-methylpentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122709
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-(1-chloropropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122581
1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide
CID 103118084
(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821158
N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 164629565
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 103117164
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 103725904
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide (CID 104580688) is N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC(CO)CO)n1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is AAGXOFGHUDRGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-11-3-2-7(10-11)8(14)9-6(4-12)5-13/h2-3,6,12-13H,4-5H2,1H3,(H,9,14).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 104580688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).