N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine

C19H20N4 — CID 119125462

IUPACN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
SMILESc1ccc(-n2cc(CNC3CCC3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H20N4/c1-2-7-18(8-3-1)23-14-16(13-21-17-5-4-6-17)19(22-23)15-9-11-20-12-10-15/h1-3,7-12,14,17,21H,4-6,13H2
InChIKeyBZMBPHYJOLEQTD-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.58
Rot. Bonds5

About N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine

N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine (PubChem CID 119125462) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
PubChem CID119125462
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
SMILESc1ccc(-n2cc(CNC3CCC3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H20N4/c1-2-7-18(8-3-1)23-14-16(13-21-17-5-4-6-17)19(22-23)15-9-11-20-12-10-15/h1-3,7-12,14,17,21H,4-6,13H2
InChIKeyBZMBPHYJOLEQTD-UHFFFAOYSA-N
XLogP3.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxo-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide
CID 100610825
4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509853
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine
CID 119122665
1-[(2R)-1,4-dioxan-2-yl]-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 95152409
(2R,4S)-4-hydroxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 124703588
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]isoquinoline-1-carboxamide
CID 52822334
(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
CID 41047282
N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127493
3-chloro-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60605098

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine (CID 119125462) is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine is c1ccc(-n2cc(CNC3CCC3)c(-c3ccncc3)n2)cc1.
What is the InChIKey of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine?
The InChIKey is BZMBPHYJOLEQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-7-18(8-3-1)23-14-16(13-21-17-5-4-6-17)19(22-23)15-9-11-20-12-10-15/h1-3,7-12,14,17,21H,4-6,13H2.
What are the key properties of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine?
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine has a molecular weight of 304.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine is sourced from PubChem (CID 119125462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).