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

C14H22ClN5 — CID 115989668

IUPACN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1CNCc1c(Cl)c(C)nn1CC
InChIInChI=1S/C14H22ClN5/c1-5-12-11(9-19(4)18-12)7-16-8-13-14(15)10(3)17-20(13)6-2/h9,16H,5-8H2,1-4H3
InChIKeyHRBFXUBTCBBZRO-UHFFFAOYSA-N
MW295.82 g/mol
LogP2.45
Rot. Bonds6

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

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine (PubChem CID 115989668) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
PubChem CID115989668
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1CNCc1c(Cl)c(C)nn1CC
InChIInChI=1S/C14H22ClN5/c1-5-12-11(9-19(4)18-12)7-16-8-13-14(15)10(3)17-20(13)6-2/h9,16H,5-8H2,1-4H3
InChIKeyHRBFXUBTCBBZRO-UHFFFAOYSA-N
XLogP2.45
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82738840
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115989281
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 112549603
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112549507
1-(2,3-dimethylphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 112550132
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrol-3-yl)methanamine
CID 112668399
2-chloro-6-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112555032
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699833
1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885796
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-iodophenyl)methanamine
CID 112668872
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 103894058

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine (CID 115989668) is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine is CCc1nn(C)cc1CNCc1c(Cl)c(C)nn1CC.
What is the InChIKey of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The InChIKey is HRBFXUBTCBBZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5/c1-5-12-11(9-19(4)18-12)7-16-8-13-14(15)10(3)17-20(13)6-2/h9,16H,5-8H2,1-4H3.
What are the key properties of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine has a molecular weight of 295.82 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115989668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).