6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

C16H20ClN3O — CID 114711481

IUPAC6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cnn(C)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H20ClN3O/c1-3-6-18-14-8-16(11-9-19-20(2)10-11)21-15-5-4-12(17)7-13(14)15/h4-5,7,9-10,14,16,18H,3,6,8H2,1-2H3
InChIKeyZKBHVEKLQNYKTN-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.64
Rot. Bonds4

About 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711481) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711481
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cnn(C)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H20ClN3O/c1-3-6-18-14-8-16(11-9-19-20(2)10-11)21-15-5-4-12(17)7-13(14)15/h4-5,7,9-10,14,16,18H,3,6,8H2,1-2H3
InChIKeyZKBHVEKLQNYKTN-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710798
6-fluoro-2-phenyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710740
6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711441
6-fluoro-2-(3-methylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710770
6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709720
6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711145
(4R)-6-bromo-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947501
6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711302
6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712835
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114711481) is 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(c2cnn(C)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZKBHVEKLQNYKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-6-18-14-8-16(11-9-19-20(2)10-11)21-15-5-4-12(17)7-13(14)15/h4-5,7,9-10,14,16,18H,3,6,8H2,1-2H3.
What are the key properties of 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).