(1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine

C15H21ClN4 — CID 99930350

IUPAC(1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCCc1nn(C)c(Cl)c1CN(C)[C@H](C)c1ccncc1
InChIInChI=1S/C15H21ClN4/c1-5-14-13(15(16)20(4)18-14)10-19(3)11(2)12-6-8-17-9-7-12/h6-9,11H,5,10H2,1-4H3/t11-/m1/s1
InChIKeyVKIBPTMYSCQQMO-LLVKDONJSA-N
MW292.81 g/mol
LogP3.22
Rot. Bonds5

About (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine

(1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine (PubChem CID 99930350) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine
PubChem CID99930350
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name(1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCCc1nn(C)c(Cl)c1CN(C)[C@H](C)c1ccncc1
InChIInChI=1S/C15H21ClN4/c1-5-14-13(15(16)20(4)18-14)10-19(3)11(2)12-6-8-17-9-7-12/h6-9,11H,5,10H2,1-4H3/t11-/m1/s1
InChIKeyVKIBPTMYSCQQMO-LLVKDONJSA-N
XLogP3.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine (CID 99930350) is (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine is CCc1nn(C)c(Cl)c1CN(C)[C@H](C)c1ccncc1.
What is the InChIKey of (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
The InChIKey is VKIBPTMYSCQQMO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-5-14-13(15(16)20(4)18-14)10-19(3)11(2)12-6-8-17-9-7-12/h6-9,11H,5,10H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
(1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine has a molecular weight of 292.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 99930350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).