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

C11H20N4 — CID 80554998

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
SMILESCn1nccc1CNCC1CCCNC1
InChIInChI=1S/C11H20N4/c1-15-11(4-6-14-15)9-13-8-10-3-2-5-12-7-10/h4,6,10,12-13H,2-3,5,7-9H2,1H3
InChIKeyGROZYHISTFZKMJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.51
Rot. Bonds4

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

N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine (PubChem CID 80554998) 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-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
PubChem CID80554998
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
SMILESCn1nccc1CNCC1CCCNC1
InChIInChI=1S/C11H20N4/c1-15-11(4-6-14-15)9-13-8-10-3-2-5-12-7-10/h4,6,10,12-13H,2-3,5,7-9H2,1H3
InChIKeyGROZYHISTFZKMJ-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

N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707316
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
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-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103157779
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640781
N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 114698820
1-piperidin-3-yl-N-(pyridazin-3-ylmethyl)methanamine
CID 106895080
1-(1,3-dioxan-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 81102183

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine (CID 80554998) is N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine is Cn1nccc1CNCC1CCCNC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine?
The InChIKey is GROZYHISTFZKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15-11(4-6-14-15)9-13-8-10-3-2-5-12-7-10/h4,6,10,12-13H,2-3,5,7-9H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine?
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-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-3-ylmethanamine is sourced from PubChem (CID 80554998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).