N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide

C20H22N4O2 — CID 91940438

IUPACN-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)N(CC=Cc2ccccc2)CCO)[nH]n1
InChIInChI=1S/C20H22N4O2/c1-23-11-6-10-19(23)17-15-18(22-21-17)20(26)24(13-14-25)12-5-9-16-7-3-2-4-8-16/h2-11,15,25H,12-14H2,1H3,(H,21,22)
InChIKeyOGKAZFVRZNLVJI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.56
Rot. Bonds7

About N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide

N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide (PubChem CID 91940438) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide
PubChem CID91940438
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)N(CC=Cc2ccccc2)CCO)[nH]n1
InChIInChI=1S/C20H22N4O2/c1-23-11-6-10-19(23)17-15-18(22-21-17)20(26)24(13-14-25)12-5-9-16-7-3-2-4-8-16/h2-11,15,25H,12-14H2,1H3,(H,21,22)
InChIKeyOGKAZFVRZNLVJI-UHFFFAOYSA-N
XLogP2.56
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 70707028
N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110886500
methyl (E)-4-[[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]amino]but-2-enoate
CID 118667842
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 6869478
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134622
N-(3-benzylsulfanylpropyl)-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131935860
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide
CID 171135111
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574
N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 46998527
3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70755650
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 135765594
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide (CID 91940438) is N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)N(CC=Cc2ccccc2)CCO)[nH]n1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OGKAZFVRZNLVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-11-6-10-19(23)17-15-18(22-21-17)20(26)24(13-14-25)12-5-9-16-7-3-2-4-8-16/h2-11,15,25H,12-14H2,1H3,(H,21,22).
What are the key properties of N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide?
N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91940438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).