4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H19FN4O — CID 62076562

IUPAC4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(C)c2ccccc2F)c1N
InChIInChI=1S/C15H19FN4O/c1-8(2)13-12(17)14(20-19-13)15(21)18-9(3)10-6-4-5-7-11(10)16/h4-9H,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyMWHCQBZQFOLSJJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.75
Rot. Bonds4

About 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076562) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076562
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(C)c2ccccc2F)c1N
InChIInChI=1S/C15H19FN4O/c1-8(2)13-12(17)14(20-19-13)15(21)18-9(3)10-6-4-5-7-11(10)16/h4-9H,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyMWHCQBZQFOLSJJ-UHFFFAOYSA-N
XLogP2.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(3-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076746
4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63010551
4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 82812874
4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081467
5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
CID 61117350
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077044
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
CID 61118167
4-amino-N-(3-bromo-4-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 104775377
4-amino-N-(2-ethoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077048
4-amino-N-(4-bromo-2,6-difluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 65468469
5-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61117008

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076562) is 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NC(C)c2ccccc2F)c1N.
What is the InChIKey of 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MWHCQBZQFOLSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-8(2)13-12(17)14(20-19-13)15(21)18-9(3)10-6-4-5-7-11(10)16/h4-9H,17H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).