N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide

C14H17FN4O — CID 62920963

IUPACN-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C14H17FN4O/c1-18-13(6-8-17-18)14(20)19(9-3-7-16)12-5-2-4-11(15)10-12/h2,4-6,8,10H,3,7,9,16H2,1H3
InChIKeyGJTQRVDTYPIAFM-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.55
Rot. Bonds5

About N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide

N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 62920963) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID62920963
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C14H17FN4O/c1-18-13(6-8-17-18)14(20)19(9-3-7-16)12-5-2-4-11(15)10-12/h2,4-6,8,10H,3,7,9,16H2,1H3
InChIKeyGJTQRVDTYPIAFM-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 ≤ 500276.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide (CID 62920963) is N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N(CCCN)c1cccc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is GJTQRVDTYPIAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-18-13(6-8-17-18)14(20)19(9-3-7-16)12-5-2-4-11(15)10-12/h2,4-6,8,10H,3,7,9,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide?
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 276.31 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)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 62920963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).