5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide

C22H30N4O — CID 131914240

IUPAC5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(CN1CCc2ccccc2C1)NC(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C22H30N4O/c1-16(14-26-12-11-17-7-5-6-10-19(17)15-26)24-22(27)20-13-23-25-21(20)18-8-3-2-4-9-18/h5-7,10,13,16,18H,2-4,8-9,11-12,14-15H2,1H3,(H,23,25)(H,24,27)
InChIKeyICCFFCBGFIWXCT-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.63
Rot. Bonds5

About 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 131914240) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID131914240
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(CN1CCc2ccccc2C1)NC(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C22H30N4O/c1-16(14-26-12-11-17-7-5-6-10-19(17)15-26)24-22(27)20-13-23-25-21(20)18-8-3-2-4-9-18/h5-7,10,13,16,18H,2-4,8-9,11-12,14-15H2,1H3,(H,23,25)(H,24,27)
InChIKeyICCFFCBGFIWXCT-UHFFFAOYSA-N
XLogP3.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide (CID 131914240) is 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide is CC(CN1CCc2ccccc2C1)NC(=O)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ICCFFCBGFIWXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16(14-26-12-11-17-7-5-6-10-19(17)15-26)24-22(27)20-13-23-25-21(20)18-8-3-2-4-9-18/h5-7,10,13,16,18H,2-4,8-9,11-12,14-15H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 131914240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).