N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C16H21ClN4 — CID 82699289

IUPACN-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCc1cc(CC)n(-c2ccc(Cl)c(CNC3CC3)n2)n1
InChIInChI=1S/C16H21ClN4/c1-3-11-9-13(4-2)21(20-11)16-8-7-14(17)15(19-16)10-18-12-5-6-12/h7-9,12,18H,3-6,10H2,1-2H3
InChIKeyHPEACNCKYUJLEP-UHFFFAOYSA-N
MW304.83 g/mol
LogP3.30
Rot. Bonds6

About N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 82699289) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID82699289
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC NameN-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCc1cc(CC)n(-c2ccc(Cl)c(CNC3CC3)n2)n1
InChIInChI=1S/C16H21ClN4/c1-3-11-9-13(4-2)21(20-11)16-8-7-14(17)15(19-16)10-18-12-5-6-12/h7-9,12,18H,3-6,10H2,1-2H3
InChIKeyHPEACNCKYUJLEP-UHFFFAOYSA-N
XLogP3.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine
CID 82694164
N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854922
N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 82694815
N-[[3-chloro-6-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503041
N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 83221632
N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63621290
N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284426
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 55059386
N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62296568
[6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 82693564
6-(3,5-diethylpyrazol-1-yl)-N-ethylpyridin-2-amine
CID 82699860
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114927493

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 82699289) is N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CCc1cc(CC)n(-c2ccc(Cl)c(CNC3CC3)n2)n1.
What is the InChIKey of N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is HPEACNCKYUJLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-3-11-9-13(4-2)21(20-11)16-8-7-14(17)15(19-16)10-18-12-5-6-12/h7-9,12,18H,3-6,10H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 304.83 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 82699289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).