5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide

C19H22ClN7O2 — CID 56553126

IUPAC5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C19H22ClN7O2/c1-29-17-10-16(27-11-21-25-26-27)15(20)9-14(17)19(28)22-18-8-13(23-24-18)7-12-5-3-2-4-6-12/h8-12H,2-7H2,1H3,(H2,22,23,24,28)
InChIKeyVAOAJTDJFWPDHY-UHFFFAOYSA-N
MW415.89 g/mol
LogP3.42
Rot. Bonds6

About 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide

5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 56553126) has the molecular formula C19H22ClN7O2 and a molecular weight of 415.89 g/mol. Its IUPAC name is 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID56553126
Molecular FormulaC19H22ClN7O2
Molecular Weight415.89 g/mol
Exact Mass415.15
IUPAC Name5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C19H22ClN7O2/c1-29-17-10-16(27-11-21-25-26-27)15(20)9-14(17)19(28)22-18-8-13(23-24-18)7-12-5-3-2-4-6-12/h8-12H,2-7H2,1H3,(H2,22,23,24,28)
InChIKeyVAOAJTDJFWPDHY-UHFFFAOYSA-N
XLogP3.42
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.89
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 56553126) is 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1cc(CC2CCCCC2)[nH]n1.
What is the InChIKey of 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is VAOAJTDJFWPDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7O2/c1-29-17-10-16(27-11-21-25-26-27)15(20)9-14(17)19(28)22-18-8-13(23-24-18)7-12-5-3-2-4-6-12/h8-12H,2-7H2,1H3,(H2,22,23,24,28).
What are the key properties of 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 415.89 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 56553126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).