4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride

C16H20ClF3N4O — CID 119746075

IUPAC4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1.Cl
InChIInChI=1S/C16H19F3N4O.ClH/c1-20-9-2-3-15(24)21-11-12-4-6-13(7-5-12)23-10-8-14(22-23)16(17,18)19;/h4-8,10,20H,2-3,9,11H2,1H3,(H,21,24);1H
InChIKeyCSUDNMLVROHLSF-UHFFFAOYSA-N
MW376.81 g/mol
LogP2.93
Rot. Bonds7

About 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride

4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride (PubChem CID 119746075) has the molecular formula C16H20ClF3N4O and a molecular weight of 376.81 g/mol. Its IUPAC name is 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
PubChem CID119746075
Molecular FormulaC16H20ClF3N4O
Molecular Weight376.81 g/mol
Exact Mass376.13
IUPAC Name4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1.Cl
InChIInChI=1S/C16H19F3N4O.ClH/c1-20-9-2-3-15(24)21-11-12-4-6-13(7-5-12)23-10-8-14(22-23)16(17,18)19;/h4-8,10,20H,2-3,9,11H2,1H3,(H,21,24);1H
InChIKeyCSUDNMLVROHLSF-UHFFFAOYSA-N
XLogP2.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746103
4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120625185
2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride
CID 119746107
3-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]thiolane-3-carboxamide
CID 102553752
2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 138994269
N,N-diethyl-4-[[4-(methylamino)butanoylamino]methyl]benzamide;hydrochloride
CID 119712810
N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 110904260
4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604
N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 136530222
4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 119749212
1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]pentan-2-ol
CID 111118842

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride (CID 119746075) is 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride is CNCCCC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride?
The InChIKey is CSUDNMLVROHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O.ClH/c1-20-9-2-3-15(24)21-11-12-4-6-13(7-5-12)23-10-8-14(22-23)16(17,18)19;/h4-8,10,20H,2-3,9,11H2,1H3,(H,21,24);1H.
What are the key properties of 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride?
4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride has a molecular weight of 376.81 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119746075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).