N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

C19H28ClFN4O — CID 119666621

IUPACN-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C.Cl
InChIInChI=1S/C19H27FN4O.ClH/c1-4-5-6-15(11-21)23-19(25)17-12-22-24(18(17)13(2)3)16-9-7-14(20)8-10-16;/h7-10,12-13,15H,4-6,11,21H2,1-3H3,(H,23,25);1H
InChIKeyDLBDXNOCRSFSGW-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.80
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119666621) has the molecular formula C19H28ClFN4O and a molecular weight of 382.91 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119666621
Molecular FormulaC19H28ClFN4O
Molecular Weight382.91 g/mol
Exact Mass382.19
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C.Cl
InChIInChI=1S/C19H27FN4O.ClH/c1-4-5-6-15(11-21)23-19(25)17-12-22-24(18(17)13(2)3)16-9-7-14(20)8-10-16;/h7-10,12-13,15H,4-6,11,21H2,1-3H3,(H,23,25);1H
InChIKeyDLBDXNOCRSFSGW-UHFFFAOYSA-N
XLogP3.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (CID 119666621) is N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is DLBDXNOCRSFSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O.ClH/c1-4-5-6-15(11-21)23-19(25)17-12-22-24(18(17)13(2)3)16-9-7-14(20)8-10-16;/h7-10,12-13,15H,4-6,11,21H2,1-3H3,(H,23,25);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119666621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).