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

C15H27ClN4O — CID 83101344

IUPACN-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCCc1nn(C)c(CN2CCOCC2CNC(C)C)c1Cl
InChIInChI=1S/C15H27ClN4O/c1-5-13-15(16)14(19(4)18-13)9-20-6-7-21-10-12(20)8-17-11(2)3/h11-12,17H,5-10H2,1-4H3
InChIKeyKROMHHDQKUERBQ-UHFFFAOYSA-N
MW314.86 g/mol
LogP1.83
Rot. Bonds6

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

N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine (PubChem CID 83101344) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
PubChem CID83101344
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC NameN-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCCc1nn(C)c(CN2CCOCC2CNC(C)C)c1Cl
InChIInChI=1S/C15H27ClN4O/c1-5-13-15(16)14(19(4)18-13)9-20-6-7-21-10-12(20)8-17-11(2)3/h11-12,17H,5-10H2,1-4H3
InChIKeyKROMHHDQKUERBQ-UHFFFAOYSA-N
XLogP1.83
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine (CID 83101344) is N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine is CCc1nn(C)c(CN2CCOCC2CNC(C)C)c1Cl.
What is the InChIKey of N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is KROMHHDQKUERBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4O/c1-5-13-15(16)14(19(4)18-13)9-20-6-7-21-10-12(20)8-17-11(2)3/h11-12,17H,5-10H2,1-4H3.
What are the key properties of N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine?
N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 314.86 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83101344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).