N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

C19H21FN8O2 — CID 169416230

IUPACN-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(C(=O)NCc2cccc(F)c2)CC1)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C19H21FN8O2/c20-14-3-1-2-12(8-14)10-21-18(29)13-4-6-15(7-5-13)23-19(30)16-9-17(25-24-16)28-11-22-26-27-28/h1-3,8-9,11,13,15H,4-7,10H2,(H,21,29)(H,23,30)(H,24,25)
InChIKeyOKFIMTPZTZXWFE-UHFFFAOYSA-N
MW412.43 g/mol
LogP1.13
Rot. Bonds6

About N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 169416230) has the molecular formula C19H21FN8O2 and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID169416230
Molecular FormulaC19H21FN8O2
Molecular Weight412.43 g/mol
Exact Mass412.18
IUPAC NameN-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(C(=O)NCc2cccc(F)c2)CC1)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C19H21FN8O2/c20-14-3-1-2-12(8-14)10-21-18(29)13-4-6-15(7-5-13)23-19(30)16-9-17(25-24-16)28-11-22-26-27-28/h1-3,8-9,11,13,15H,4-7,10H2,(H,21,29)(H,23,30)(H,24,25)
InChIKeyOKFIMTPZTZXWFE-UHFFFAOYSA-N
XLogP1.13
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (CID 169416230) is N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is O=C(NC1CCC(C(=O)NCc2cccc(F)c2)CC1)c1cc(-n2cnnn2)n[nH]1.
What is the InChIKey of N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is OKFIMTPZTZXWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN8O2/c20-14-3-1-2-12(8-14)10-21-18(29)13-4-6-15(7-5-13)23-19(30)16-9-17(25-24-16)28-11-22-26-27-28/h1-3,8-9,11,13,15H,4-7,10H2,(H,21,29)(H,23,30)(H,24,25).
What are the key properties of N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 169416230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).