1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide

C19H25FN4O — CID 119757350

IUPAC1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1(N)CC1
InChIInChI=1S/C19H25FN4O/c1-24(18(25)19(21)10-11-19)12-4-2-3-5-16-13-17(23-22-16)14-6-8-15(20)9-7-14/h6-9,13H,2-5,10-12,21H2,1H3,(H,22,23)
InChIKeyZLOWTMHSTQAITC-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.88
Rot. Bonds8

About 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide

1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 119757350) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide
PubChem CID119757350
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1(N)CC1
InChIInChI=1S/C19H25FN4O/c1-24(18(25)19(21)10-11-19)12-4-2-3-5-16-13-17(23-22-16)14-6-8-15(20)9-7-14/h6-9,13H,2-5,10-12,21H2,1H3,(H,22,23)
InChIKeyZLOWTMHSTQAITC-UHFFFAOYSA-N
XLogP2.88
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide (CID 119757350) is 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide is CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is ZLOWTMHSTQAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-24(18(25)19(21)10-11-19)12-4-2-3-5-16-13-17(23-22-16)14-6-8-15(20)9-7-14/h6-9,13H,2-5,10-12,21H2,1H3,(H,22,23).
What are the key properties of 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide?
1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 119757350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).