N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

C11H17N3O3 — CID 61235651

IUPACN,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1C=CC(=O)N(CCO)CCO
InChIInChI=1S/C11H17N3O3/c1-13-10(4-5-12-13)2-3-11(17)14(6-8-15)7-9-16/h2-5,15-16H,6-9H2,1H3
InChIKeyVSEVFSZGPZMRNK-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.75
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 61235651) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID61235651
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC NameN,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1C=CC(=O)N(CCO)CCO
InChIInChI=1S/C11H17N3O3/c1-13-10(4-5-12-13)2-3-11(17)14(6-8-15)7-9-16/h2-5,15-16H,6-9H2,1H3
InChIKeyVSEVFSZGPZMRNK-UHFFFAOYSA-N
XLogP-0.75
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl-[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetic acid
CID 103802830
(E)-N-(3-hydroxypropyl)-3-(2-methylpyrazol-3-yl)-N-propan-2-ylprop-2-enamide
CID 54917485
2-[(2-amino-2-oxoethyl)-[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetic acid
CID 107434013
ethyl (E)-3-(2-methylpyrazol-3-yl)prop-2-enoate
CID 77230263
methyl 2-methyl-3-[methyl-[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoate
CID 55008293
1-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]pyrazole
CID 166472401
ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate
CID 76903596
N-methoxy-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 76915367
(E)-N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 107232707
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 79252809
(E)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 103801130
N-(2,3-dihydroxy-2-methylpropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 77113854

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 61235651) is N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is Cn1nccc1C=CC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is VSEVFSZGPZMRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-10(4-5-12-13)2-3-11(17)14(6-8-15)7-9-16/h2-5,15-16H,6-9H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 239.28 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 61235651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).