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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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).