N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine

C11H20N4 — CID 78920944

IUPACN-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCn1ccc(CNCCN2CCCC2)n1
InChIInChI=1S/C11H20N4/c1-14-8-4-11(13-14)10-12-5-9-15-6-2-3-7-15/h4,8,12H,2-3,5-7,9-10H2,1H3
InChIKeyABOCWIQNPFBYSL-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.61
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 78920944) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID78920944
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCn1ccc(CNCCN2CCCC2)n1
InChIInChI=1S/C11H20N4/c1-14-8-4-11(13-14)10-12-5-9-15-6-2-3-7-15/h4,8,12H,2-3,5-7,9-10H2,1H3
InChIKeyABOCWIQNPFBYSL-UHFFFAOYSA-N
XLogP0.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64800508
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 106844741
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
CID 78921060
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 115680433
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19623018

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 78920944) is N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine is Cn1ccc(CNCCN2CCCC2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is ABOCWIQNPFBYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14-8-4-11(13-14)10-12-5-9-15-6-2-3-7-15/h4,8,12H,2-3,5-7,9-10H2,1H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 208.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 78920944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).