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

C16H28ClN3O — CID 114534765

IUPACN-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCCc1nn(C)c(CC2(CNC(C)C)CCOC2C)c1Cl
InChIInChI=1S/C16H28ClN3O/c1-6-13-15(17)14(20(5)19-13)9-16(10-18-11(2)3)7-8-21-12(16)4/h11-12,18H,6-10H2,1-5H3
InChIKeyYZDAYCMWBCGPNP-UHFFFAOYSA-N
MW313.87 g/mol
LogP2.97
Rot. Bonds6

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

N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine (PubChem CID 114534765) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
PubChem CID114534765
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC NameN-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCCc1nn(C)c(CC2(CNC(C)C)CCOC2C)c1Cl
InChIInChI=1S/C16H28ClN3O/c1-6-13-15(17)14(20(5)19-13)9-16(10-18-11(2)3)7-8-21-12(16)4/h11-12,18H,6-10H2,1-5H3
InChIKeyYZDAYCMWBCGPNP-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]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-[[3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534723
N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534634
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023800
N-[[3-[(2,5-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534688
N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534620
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83101344
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 104998436
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603768
4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole
CID 66466493
N-[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 104998573
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534739

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine (CID 114534765) is N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine is CCc1nn(C)c(CC2(CNC(C)C)CCOC2C)c1Cl.
What is the InChIKey of N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The InChIKey is YZDAYCMWBCGPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-6-13-15(17)14(20(5)19-13)9-16(10-18-11(2)3)7-8-21-12(16)4/h11-12,18H,6-10H2,1-5H3.
What are the key properties of N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine has a molecular weight of 313.87 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114534765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).