N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine

C16H20ClN3O — CID 114655781

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1C)C1COc2ccccc2C1
InChIInChI=1S/C16H20ClN3O/c1-3-18-15(16-13(17)9-19-20(16)2)12-8-11-6-4-5-7-14(11)21-10-12/h4-7,9,12,15,18H,3,8,10H2,1-2H3
InChIKeyDPTLGABPRYJRSX-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.98
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine

N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine (PubChem CID 114655781) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
PubChem CID114655781
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1C)C1COc2ccccc2C1
InChIInChI=1S/C16H20ClN3O/c1-3-18-15(16-13(17)9-19-20(16)2)12-8-11-6-4-5-7-14(11)21-10-12/h4-7,9,12,15,18H,3,8,10H2,1-2H3
InChIKeyDPTLGABPRYJRSX-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114660019
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262979
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-4-amine
CID 65412264
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine
CID 65410111
N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 106653327
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methyl]ethanamine
CID 114659991
[(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105234017
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
CID 65410110

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine (CID 114655781) is N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine is CCNC(c1c(Cl)cnn1C)C1COc2ccccc2C1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine?
The InChIKey is DPTLGABPRYJRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-18-15(16-13(17)9-19-20(16)2)12-8-11-6-4-5-7-14(11)21-10-12/h4-7,9,12,15,18H,3,8,10H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine?
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114655781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).