N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

C23H27FN4O2 — CID 55652048

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccn(-c2ccccc2F)n1)c1cccc(OC)c1
InChIInChI=1S/C23H27FN4O2/c1-4-27(5-2)22(17-9-8-10-18(15-17)30-3)16-25-23(29)20-13-14-28(26-20)21-12-7-6-11-19(21)24/h6-15,22H,4-5,16H2,1-3H3,(H,25,29)
InChIKeyADKTVGSUGMMCMN-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.83
Rot. Bonds9

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 55652048) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID55652048
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccn(-c2ccccc2F)n1)c1cccc(OC)c1
InChIInChI=1S/C23H27FN4O2/c1-4-27(5-2)22(17-9-8-10-18(15-17)30-3)16-25-23(29)20-13-14-28(26-20)21-12-7-6-11-19(21)24/h6-15,22H,4-5,16H2,1-3H3,(H,25,29)
InChIKeyADKTVGSUGMMCMN-UHFFFAOYSA-N
XLogP3.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 46545686
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
2-(aminomethyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119837718
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651671
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide (CID 55652048) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide is CCN(CC)C(CNC(=O)c1ccn(-c2ccccc2F)n1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is ADKTVGSUGMMCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-4-27(5-2)22(17-9-8-10-18(15-17)30-3)16-25-23(29)20-13-14-28(26-20)21-12-7-6-11-19(21)24/h6-15,22H,4-5,16H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55652048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).