N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

C10H15N3O3 — CID 77064998

IUPACN-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCn1cc(C=CC(=O)NC(CO)CO)cn1
InChIInChI=1S/C10H15N3O3/c1-13-5-8(4-11-13)2-3-10(16)12-9(6-14)7-15/h2-5,9,14-15H,6-7H2,1H3,(H,12,16)
InChIKeyXJLJKXPLUKOCPC-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.10
Rot. Bonds5

About N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 77064998) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID77064998
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCn1cc(C=CC(=O)NC(CO)CO)cn1
InChIInChI=1S/C10H15N3O3/c1-13-5-8(4-11-13)2-3-10(16)12-9(6-14)7-15/h2-5,9,14-15H,6-7H2,1H3,(H,12,16)
InChIKeyXJLJKXPLUKOCPC-UHFFFAOYSA-N
XLogP-1.10
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1-methylpyrazol-4-yl)-N-pentan-3-ylprop-2-enamide
CID 24680958
(E)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 106353283
(2R)-4-methyl-2-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]pentanoic acid
CID 78975582
(1E,4E)-1,5-bis(1-methylpyrazol-4-yl)penta-1,4-dien-3-one
CID 122177397
(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
CID 17393178
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115968812
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103843789
(E)-N-[1-(2-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 18192277
(E)-N-[(1S)-1-(1-adamantyl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 29110794
(E)-N-(2-chloroprop-2-enyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115636816
(E)-N-[(R)-cyclopropyl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 31514981
(E)-N-(2-hydroxy-4-methylpentyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103771207

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 77064998) is N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide is Cn1cc(C=CC(=O)NC(CO)CO)cn1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is XJLJKXPLUKOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13-5-8(4-11-13)2-3-10(16)12-9(6-14)7-15/h2-5,9,14-15H,6-7H2,1H3,(H,12,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 225.25 g/mol, XLogP of -1.10, 5 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)-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 77064998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).