N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide

C17H29FN4O — CID 131945640

IUPACN-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC1CCCN(CCCCCF)C1
InChIInChI=1S/C17H29FN4O/c1-14-16(13-21(2)20-14)17(23)19-11-15-7-6-10-22(12-15)9-5-3-4-8-18/h13,15H,3-12H2,1-2H3,(H,19,23)
InChIKeyUIEPPQGBRSFLTE-UHFFFAOYSA-N
MW324.44 g/mol
LogP2.31
Rot. Bonds8

About N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide

N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 131945640) has the molecular formula C17H29FN4O and a molecular weight of 324.44 g/mol. Its IUPAC name is N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID131945640
Molecular FormulaC17H29FN4O
Molecular Weight324.44 g/mol
Exact Mass324.23
IUPAC NameN-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC1CCCN(CCCCCF)C1
InChIInChI=1S/C17H29FN4O/c1-14-16(13-21(2)20-14)17(23)19-11-15-7-6-10-22(12-15)9-5-3-4-8-18/h13,15H,3-12H2,1-2H3,(H,19,23)
InChIKeyUIEPPQGBRSFLTE-UHFFFAOYSA-N
XLogP2.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117
1-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 94467076
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 25458195
N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97282563
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide (CID 131945640) is N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCC1CCCN(CCCCCF)C1.
What is the InChIKey of N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is UIEPPQGBRSFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN4O/c1-14-16(13-21(2)20-14)17(23)19-11-15-7-6-10-22(12-15)9-5-3-4-8-18/h13,15H,3-12H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 324.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 131945640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).