1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide

C13H14FN3O2 — CID 141144470

IUPAC1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(OCCCF)cc2)n1
InChIInChI=1S/C13H14FN3O2/c14-7-1-9-19-11-4-2-10(3-5-11)17-8-6-12(16-17)13(15)18/h2-6,8H,1,7,9H2,(H2,15,18)
InChIKeyGQVDFZGWYIGHCJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.71
Rot. Bonds6

About 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide

1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 141144470) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide
PubChem CID141144470
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(OCCCF)cc2)n1
InChIInChI=1S/C13H14FN3O2/c14-7-1-9-19-11-4-2-10(3-5-11)17-8-6-12(16-17)13(15)18/h2-6,8H,1,7,9H2,(H2,15,18)
InChIKeyGQVDFZGWYIGHCJ-UHFFFAOYSA-N
XLogP1.71
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.71
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-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
CID 64782843
(4-amino-4-oxobutyl) 1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 71974783
1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide
CID 107275115
1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide
CID 56506640
1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 56506638
N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 111116210
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 83127909
1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide
CID 104535988
1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782828

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide (CID 141144470) is 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccc(OCCCF)cc2)n1.
What is the InChIKey of 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is GQVDFZGWYIGHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-7-1-9-19-11-4-2-10(3-5-11)17-8-6-12(16-17)13(15)18/h2-6,8H,1,7,9H2,(H2,15,18).
What are the key properties of 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide?
1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 141144470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).