N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

C16H29ClN4 — CID 106632130

IUPACN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCCn1nc(C)c(Cl)c1CN(CC1CCCCN1)C(C)C
InChIInChI=1S/C16H29ClN4/c1-5-21-15(16(17)13(4)19-21)11-20(12(2)3)10-14-8-6-7-9-18-14/h12,14,18H,5-11H2,1-4H3
InChIKeyYIRPPWIYMPJQGH-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.22
Rot. Bonds6

About N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106632130) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106632130
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCCn1nc(C)c(Cl)c1CN(CC1CCCCN1)C(C)C
InChIInChI=1S/C16H29ClN4/c1-5-21-15(16(17)13(4)19-21)11-20(12(2)3)10-14-8-6-7-9-18-14/h12,14,18H,5-11H2,1-4H3
InChIKeyYIRPPWIYMPJQGH-UHFFFAOYSA-N
XLogP3.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine 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

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616454
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614313
N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603092
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632134
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632038
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622746
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603082

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106632130) is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is CCn1nc(C)c(Cl)c1CN(CC1CCCCN1)C(C)C.
What is the InChIKey of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is YIRPPWIYMPJQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN4/c1-5-21-15(16(17)13(4)19-21)11-20(12(2)3)10-14-8-6-7-9-18-14/h12,14,18H,5-11H2,1-4H3.
What are the key properties of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 312.89 g/mol, XLogP of 3.22, 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]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106632130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).