2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C15H27ClN4O — CID 114660941

IUPAC2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1c(Cl)cnn1CCN(C)C)C1(OC)CCC1
InChIInChI=1S/C15H27ClN4O/c1-5-17-14(15(21-4)7-6-8-15)13-12(16)11-18-20(13)10-9-19(2)3/h11,14,17H,5-10H2,1-4H3
InChIKeyPTEXDSMNKLJBBJ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.32
Rot. Bonds8

About 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114660941) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114660941
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1c(Cl)cnn1CCN(C)C)C1(OC)CCC1
InChIInChI=1S/C15H27ClN4O/c1-5-17-14(15(21-4)7-6-8-15)13-12(16)11-18-20(13)10-9-19(2)3/h11,14,17H,5-10H2,1-4H3
InChIKeyPTEXDSMNKLJBBJ-UHFFFAOYSA-N
XLogP2.32
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658260
2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660931
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657422
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 114661811
N-[(1-methoxycyclobutyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660947
2-[4-chloro-5-[ethylamino-(1-methylpyrazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114654433
2-[4-chloro-5-[ethylamino(1,4-oxathian-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658118
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclopentyl)methanol
CID 114645500
2-[4-chloro-5-[1,4-dithian-2-yl(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658049

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114660941) is 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CCNC(c1c(Cl)cnn1CCN(C)C)C1(OC)CCC1.
What is the InChIKey of 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is PTEXDSMNKLJBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4O/c1-5-17-14(15(21-4)7-6-8-15)13-12(16)11-18-20(13)10-9-19(2)3/h11,14,17H,5-10H2,1-4H3.
What are the key properties of 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 314.86 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114660941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).