N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine

C16H20ClN3 — CID 115464407

IUPACN-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine
SMILESCc1nn(Cc2ccccc2CCNC2CC2)cc1Cl
InChIInChI=1S/C16H20ClN3/c1-12-16(17)11-20(19-12)10-14-5-3-2-4-13(14)8-9-18-15-6-7-15/h2-5,11,15,18H,6-10H2,1H3
InChIKeyJHQRYVJHLUHWRS-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.19
Rot. Bonds6

About N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine

N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 115464407) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine
PubChem CID115464407
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine
SMILESCc1nn(Cc2ccccc2CCNC2CC2)cc1Cl
InChIInChI=1S/C16H20ClN3/c1-12-16(17)11-20(19-12)10-14-5-3-2-4-13(14)8-9-18-15-6-7-15/h2-5,11,15,18H,6-10H2,1H3
InChIKeyJHQRYVJHLUHWRS-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine (CID 115464407) is N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine is Cc1nn(Cc2ccccc2CCNC2CC2)cc1Cl.
What is the InChIKey of N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is JHQRYVJHLUHWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-16(17)11-20(19-12)10-14-5-3-2-4-13(14)8-9-18-15-6-7-15/h2-5,11,15,18H,6-10H2,1H3.
What are the key properties of N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 289.81 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 115464407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).