N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine

C10H19ClN4 — CID 169145998

IUPACN-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1c(Cl)c(CN)nn1CC
InChIInChI=1S/C10H19ClN4/c1-4-14(3)7-9-10(11)8(6-12)13-15(9)5-2/h4-7,12H2,1-3H3
InChIKeyOIUXJSPLMQECMJ-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.47
Rot. Bonds5

About N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine

N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine (PubChem CID 169145998) has the molecular formula C10H19ClN4 and a molecular weight of 230.74 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine
PubChem CID169145998
Molecular FormulaC10H19ClN4
Molecular Weight230.74 g/mol
Exact Mass230.13
IUPAC NameN-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1c(Cl)c(CN)nn1CC
InChIInChI=1S/C10H19ClN4/c1-4-14(3)7-9-10(11)8(6-12)13-15(9)5-2/h4-7,12H2,1-3H3
InChIKeyOIUXJSPLMQECMJ-UHFFFAOYSA-N
XLogP1.47
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methylbutan-1-amine
CID 113499968
1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114952590
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614313
4-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79113863
5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
CID 107205022
1-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317930
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79062885
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79592019
N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine
CID 165448322
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092735
4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114953005

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine?
The IUPAC name of N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine (CID 169145998) is N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine is CCN(C)Cc1c(Cl)c(CN)nn1CC.
What is the InChIKey of N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine?
The InChIKey is OIUXJSPLMQECMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN4/c1-4-14(3)7-9-10(11)8(6-12)13-15(9)5-2/h4-7,12H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine?
N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine has a molecular weight of 230.74 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 169145998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).