N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide

C14H17FN4O — CID 43136163

IUPACN-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(CCCN)c2cccc(F)c2)cn1
InChIInChI=1S/C14H17FN4O/c1-18-10-11(9-17-18)14(20)19(7-3-6-16)13-5-2-4-12(15)8-13/h2,4-5,8-10H,3,6-7,16H2,1H3
InChIKeyGWKKFGHBQGPTBP-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.55
Rot. Bonds5

About N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide

N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 43136163) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID43136163
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC NameN-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(CCCN)c2cccc(F)c2)cn1
InChIInChI=1S/C14H17FN4O/c1-18-10-11(9-17-18)14(20)19(7-3-6-16)13-5-2-4-12(15)8-13/h2,4-5,8-10H,3,6-7,16H2,1H3
InChIKeyGWKKFGHBQGPTBP-UHFFFAOYSA-N
XLogP1.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 62920963
N'-(3-fluorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 103000063
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 79095264
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylpyrazole-4-carboxamide
CID 43275637
N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide
CID 104637909
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
CID 28768548
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801026

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide (CID 43136163) is N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N(CCCN)c2cccc(F)c2)cn1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is GWKKFGHBQGPTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-18-10-11(9-17-18)14(20)19(7-3-6-16)13-5-2-4-12(15)8-13/h2,4-5,8-10H,3,6-7,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide?
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 43136163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).