N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine

C15H21ClN4 — CID 82738840

IUPACN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
SMILESCCc1cccnc1CNCc1c(Cl)c(C)nn1CC
InChIInChI=1S/C15H21ClN4/c1-4-12-7-6-8-18-13(12)9-17-10-14-15(16)11(3)19-20(14)5-2/h6-8,17H,4-5,9-10H2,1-3H3
InChIKeyMQBKHOMNZQRVPL-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.11
Rot. Bonds6

About N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine (PubChem CID 82738840) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
PubChem CID82738840
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
SMILESCCc1cccnc1CNCc1c(Cl)c(C)nn1CC
InChIInChI=1S/C15H21ClN4/c1-4-12-7-6-8-18-13(12)9-17-10-14-15(16)11(3)19-20(14)5-2/h6-8,17H,4-5,9-10H2,1-3H3
InChIKeyMQBKHOMNZQRVPL-UHFFFAOYSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 115989668
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105263692
1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82737650
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82732413
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733516
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 82732935
1-(4-chloro-3-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732090
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699833
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 82749017
3-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83120996

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine (CID 82738840) is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine is CCc1cccnc1CNCc1c(Cl)c(C)nn1CC.
What is the InChIKey of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine?
The InChIKey is MQBKHOMNZQRVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-4-12-7-6-8-18-13(12)9-17-10-14-15(16)11(3)19-20(14)5-2/h6-8,17H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine?
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine has a molecular weight of 292.81 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine is sourced from PubChem (CID 82738840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).