N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

C19H19N5O2 — CID 78812955

IUPACN'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C=CC(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C19H19N5O2/c1-13-16(14(2)24(23-13)15-7-4-3-5-8-15)10-11-18(25)21-22-19(26)17-9-6-12-20-17/h3-12,20H,1-2H3,(H,21,25)(H,22,26)
InChIKeyPEHVDJFJLQYIKO-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.29
Rot. Bonds4

About N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78812955) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78812955
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C=CC(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C19H19N5O2/c1-13-16(14(2)24(23-13)15-7-4-3-5-8-15)10-11-18(25)21-22-19(26)17-9-6-12-20-17/h3-12,20H,1-2H3,(H,21,25)(H,22,26)
InChIKeyPEHVDJFJLQYIKO-UHFFFAOYSA-N
XLogP2.29
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide
CID 78814262
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 75266589
3-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoylamino]propanoic acid
CID 127265525
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9489262
(E)-N-(2-bromophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 26719106
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methylsulfonylethyl)prop-2-enamide
CID 51092268
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025931
3-(dimethylamino)-N'-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoyl]benzohydrazide
CID 30486986
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 26086243
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111464339
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-(4-methoxypyrimidin-2-yl)prop-2-enehydrazide
CID 55619412
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78813095

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide (CID 78812955) is N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide is Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is PEHVDJFJLQYIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-16(14(2)24(23-13)15-7-4-3-5-8-15)10-11-18(25)21-22-19(26)17-9-6-12-20-17/h3-12,20H,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide?
N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 349.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78812955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).