N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide

C18H25FN4O — CID 92586764

IUPACN-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C
InChIInChI=1S/C18H25FN4O/c1-4-7-18(24)20-10-11-23-14(13-22(2)3)12-17(21-23)15-8-5-6-9-16(15)19/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3,(H,20,24)
InChIKeyZYVFCTHABZLHOE-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.67
Rot. Bonds8

About N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide

N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide (PubChem CID 92586764) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide
PubChem CID92586764
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC NameN-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C
InChIInChI=1S/C18H25FN4O/c1-4-7-18(24)20-10-11-23-14(13-22(2)3)12-17(21-23)15-8-5-6-9-16(15)19/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3,(H,20,24)
InChIKeyZYVFCTHABZLHOE-UHFFFAOYSA-N
XLogP2.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide?
The IUPAC name of N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide (CID 92586764) is N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide is CCCC(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C.
What is the InChIKey of N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide?
The InChIKey is ZYVFCTHABZLHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-4-7-18(24)20-10-11-23-14(13-22(2)3)12-17(21-23)15-8-5-6-9-16(15)19/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3,(H,20,24).
What are the key properties of N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide?
N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide has a molecular weight of 332.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide is sourced from PubChem (CID 92586764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).