N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine

C11H20N4 — CID 79707316

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCn1nccc1CNCC1CCNCC1
InChIInChI=1S/C11H20N4/c1-15-11(4-7-14-15)9-13-8-10-2-5-12-6-3-10/h4,7,10,12-13H,2-3,5-6,8-9H2,1H3
InChIKeyNAERKRMMAGPRIT-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.51
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine

N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 79707316) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID79707316
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCn1nccc1CNCC1CCNCC1
InChIInChI=1S/C11H20N4/c1-15-11(4-7-14-15)9-13-8-10-2-5-12-6-3-10/h4,7,10,12-13H,2-3,5-6,8-9H2,1H3
InChIKeyNAERKRMMAGPRIT-UHFFFAOYSA-N
XLogP0.51
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
CID 80554998
N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine
CID 115671236
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920797
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 103006585
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210
1-(1,3-dioxan-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 81102183
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 103008088
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103157779

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine (CID 79707316) is N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine is Cn1nccc1CNCC1CCNCC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is NAERKRMMAGPRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15-11(4-7-14-15)9-13-8-10-2-5-12-6-3-10/h4,7,10,12-13H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine?
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 208.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 79707316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).