N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide

C19H21F2N7O — CID 155511693

IUPACN-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C19H21F2N7O/c1-13-11-16(28(24-13)15-7-9-19(20,21)10-8-15)22-17(29)12-27-25-18(23-26-27)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,22,29)
InChIKeyJDHXSMFAUNLLOX-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 155511693) has the molecular formula C19H21F2N7O and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID155511693
Molecular FormulaC19H21F2N7O
Molecular Weight401.42 g/mol
Exact Mass401.18
IUPAC NameN-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C19H21F2N7O/c1-13-11-16(28(24-13)15-7-9-19(20,21)10-8-15)22-17(29)12-27-25-18(23-26-27)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,22,29)
InChIKeyJDHXSMFAUNLLOX-UHFFFAOYSA-N
XLogP3.23
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 65695
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N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide
CID 4695351
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
CID 16026504
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 16026652
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(2-phenylethyl)propanamide
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N-(1-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 155511693) is N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(C2CCC(F)(F)CC2)n1.
What is the InChIKey of N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is JDHXSMFAUNLLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O/c1-13-11-16(28(24-13)15-7-9-19(20,21)10-8-15)22-17(29)12-27-25-18(23-26-27)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,22,29).
What are the key properties of N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 401.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 155511693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).