1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide

C17H19BrN4O2 — CID 32894243

IUPAC1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C17H19BrN4O2/c1-11-9-12(2)22(21-11)10-15(23)19-20-16(24)17(7-8-17)13-3-5-14(18)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyAQXRPYXIKZOOCN-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide

1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide (PubChem CID 32894243) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide
PubChem CID32894243
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C17H19BrN4O2/c1-11-9-12(2)22(21-11)10-15(23)19-20-16(24)17(7-8-17)13-3-5-14(18)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyAQXRPYXIKZOOCN-UHFFFAOYSA-N
XLogP2.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide
CID 36658872
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 34390205
3-cyclohexyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 7780052
2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide
CID 9425057
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 26594562
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
CID 4290547
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 9428621

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide?
The IUPAC name of 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide (CID 32894243) is 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)C2(c3ccc(Br)cc3)CC2)n1.
What is the InChIKey of 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide?
The InChIKey is AQXRPYXIKZOOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-11-9-12(2)22(21-11)10-15(23)19-20-16(24)17(7-8-17)13-3-5-14(18)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide?
1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide has a molecular weight of 391.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 32894243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).