cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide

C17H17F3N4O — CID 97004714

IUPACcis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H17F3N4O/c1-9-7-10(2)22-16(21-9)24-23-15(25)13-8-12(13)11-5-3-4-6-14(11)17(18,19)20/h3-7,12-13H,8H2,1-2H3,(H,23,25)(H,21,22,24)/t12-,13-/m1/s1
InChIKeyRHZWIQKELBXCDD-CHWSQXEVSA-N
MW350.34 g/mol
LogP3.36
Rot. Bonds4

About cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide

cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide (PubChem CID 97004714) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
PubChem CID97004714
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Namecis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H17F3N4O/c1-9-7-10(2)22-16(21-9)24-23-15(25)13-8-12(13)11-5-3-4-6-14(11)17(18,19)20/h3-7,12-13H,8H2,1-2H3,(H,23,25)(H,21,22,24)/t12-,13-/m1/s1
InChIKeyRHZWIQKELBXCDD-CHWSQXEVSA-N
XLogP3.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.36
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

N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 71899915
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide
CID 94215656
N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 78832706
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
CID 78832337
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806379
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide
CID 134009766
N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112820316
trans-(1R,2R)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 124736631

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide (CID 97004714) is cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide is Cc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1.
What is the InChIKey of cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The InChIKey is RHZWIQKELBXCDD-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-9-7-10(2)22-16(21-9)24-23-15(25)13-8-12(13)11-5-3-4-6-14(11)17(18,19)20/h3-7,12-13H,8H2,1-2H3,(H,23,25)(H,21,22,24)/t12-,13-/m1/s1.
What are the key properties of cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide has a molecular weight of 350.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 97004714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).