N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C19H22FN5O — CID 16673125

IUPACN-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCCc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C19H22FN5O/c1-12-18(13(2)25(3)24-12)16-11-17(23-22-16)19(26)21-10-4-5-14-6-8-15(20)9-7-14/h6-9,11H,4-5,10H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyKNZHNCMPVUGDBZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.93
Rot. Bonds6

About N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 16673125) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID16673125
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC NameN-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCCc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C19H22FN5O/c1-12-18(13(2)25(3)24-12)16-11-17(23-22-16)19(26)21-10-4-5-14-6-8-15(20)9-7-14/h6-9,11H,4-5,10H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyKNZHNCMPVUGDBZ-UHFFFAOYSA-N
XLogP2.93
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 16673125) is N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCc2ccc(F)cc2)[nH]n1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is KNZHNCMPVUGDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12-18(13(2)25(3)24-12)16-11-17(23-22-16)19(26)21-10-4-5-14-6-8-15(20)9-7-14/h6-9,11H,4-5,10H2,1-3H3,(H,21,26)(H,22,23).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16673125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).