N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine

C11H20N4 — CID 112668644

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCc1nn(C)cc1CNC1CCCNC1
InChIInChI=1S/C11H20N4/c1-9-10(8-15(2)14-9)6-13-11-4-3-5-12-7-11/h8,11-13H,3-7H2,1-2H3
InChIKeyDXCQPUGIQINDMJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.57
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 112668644) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID112668644
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCc1nn(C)cc1CNC1CCCNC1
InChIInChI=1S/C11H20N4/c1-9-10(8-15(2)14-9)6-13-11-4-3-5-12-7-11/h8,11-13H,3-7H2,1-2H3
InChIKeyDXCQPUGIQINDMJ-UHFFFAOYSA-N
XLogP0.57
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 112669514
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine
CID 115768120
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 112705229
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625379
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83229847
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 112668507
2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115768183

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine (CID 112668644) is N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine is Cc1nn(C)cc1CNC1CCCNC1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is DXCQPUGIQINDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-10(8-15(2)14-9)6-13-11-4-3-5-12-7-11/h8,11-13H,3-7H2,1-2H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 112668644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).