N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide

C11H10N4O — CID 70007700

IUPACN-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
SMILESO=C(C=Cc1ccncc1)Nc1ccn[nH]1
InChIInChI=1S/C11H10N4O/c16-11(14-10-5-8-13-15-10)2-1-9-3-6-12-7-4-9/h1-8H,(H2,13,14,15,16)
InChIKeyMPGPKUVQBGCLOA-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.46
Rot. Bonds3

About N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide

N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 70007700) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
PubChem CID70007700
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
SMILESO=C(C=Cc1ccncc1)Nc1ccn[nH]1
InChIInChI=1S/C11H10N4O/c16-11(14-10-5-8-13-15-10)2-1-9-3-6-12-7-4-9/h1-8H,(H2,13,14,15,16)
InChIKeyMPGPKUVQBGCLOA-UHFFFAOYSA-N
XLogP1.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393054
3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393521
(E)-4-oxo-4-(1H-pyrazol-5-ylamino)but-2-enoic acid
CID 71670290
N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 61393043
(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 110501197
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393608
(E)-3-pyridin-4-ylprop-2-enehydrazide
CID 5473676
3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 54433090
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide (CID 70007700) is N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide is O=C(C=Cc1ccncc1)Nc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is MPGPKUVQBGCLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c16-11(14-10-5-8-13-15-10)2-1-9-3-6-12-7-4-9/h1-8H,(H2,13,14,15,16).
What are the key properties of N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide?
N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 214.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 70007700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).