N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C16H22N4 — CID 62287746

IUPACN-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCc1c(C)nn(-c2cccc(CNC3CC3)n2)c1C
InChIInChI=1S/C16H22N4/c1-4-15-11(2)19-20(12(15)3)16-7-5-6-14(18-16)10-17-13-8-9-13/h5-7,13,17H,4,8-10H2,1-3H3
InChIKeySLVUSMULABOYBX-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.70
Rot. Bonds5

About N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62287746) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62287746
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCc1c(C)nn(-c2cccc(CNC3CC3)n2)c1C
InChIInChI=1S/C16H22N4/c1-4-15-11(2)19-20(12(15)3)16-7-5-6-14(18-16)10-17-13-8-9-13/h5-7,13,17H,4,8-10H2,1-3H3
InChIKeySLVUSMULABOYBX-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 55059038
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 55059405
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62123677
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 55059648
N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63159883
N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine
CID 62293253
N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 61272914
N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 62287034
N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103539487
N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62440800
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 114412519
N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62286910

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 62287746) is N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CCc1c(C)nn(-c2cccc(CNC3CC3)n2)c1C.
What is the InChIKey of N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is SLVUSMULABOYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-15-11(2)19-20(12(15)3)16-7-5-6-14(18-16)10-17-13-8-9-13/h5-7,13,17H,4,8-10H2,1-3H3.
What are the key properties of N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 270.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62287746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).