N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine

C12H21ClN4 — CID 43607098

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine
SMILESCc1nn(C)c(Cl)c1CN(C)C1CCNCC1
InChIInChI=1S/C12H21ClN4/c1-9-11(12(13)17(3)15-9)8-16(2)10-4-6-14-7-5-10/h10,14H,4-8H2,1-3H3
InChIKeyIPHJNLGGMXHEOQ-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.57
Rot. Bonds3

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 43607098) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID43607098
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine
SMILESCc1nn(C)c(Cl)c1CN(C)C1CCNCC1
InChIInChI=1S/C12H21ClN4/c1-9-11(12(13)17(3)15-9)8-16(2)10-4-6-14-7-5-10/h10,14H,4-8H2,1-3H3
InChIKeyIPHJNLGGMXHEOQ-UHFFFAOYSA-N
XLogP1.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine (CID 43607098) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine is Cc1nn(C)c(Cl)c1CN(C)C1CCNCC1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is IPHJNLGGMXHEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-9-11(12(13)17(3)15-9)8-16(2)10-4-6-14-7-5-10/h10,14H,4-8H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 256.78 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 43607098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).