N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine

C11H17N5 — CID 106104199

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCC(NCCc1ccn(C)n1)c1ccn[nH]1
InChIInChI=1S/C11H17N5/c1-9(11-4-7-13-14-11)12-6-3-10-5-8-16(2)15-10/h4-5,7-9,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyQVPRCXWYUKBAFU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine

N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine (PubChem CID 106104199) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
PubChem CID106104199
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCC(NCCc1ccn(C)n1)c1ccn[nH]1
InChIInChI=1S/C11H17N5/c1-9(11-4-7-13-14-11)12-6-3-10-5-8-16(2)15-10/h4-5,7-9,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyQVPRCXWYUKBAFU-UHFFFAOYSA-N
XLogP1.04
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 61212039
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106038951
1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629058
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 113434466
N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 60973145
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 104629114
4-[1-[2-(1-methylpyrazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106104315
1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629100
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104626268

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine (CID 106104199) is N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine is CC(NCCc1ccn(C)n1)c1ccn[nH]1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is QVPRCXWYUKBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(11-4-7-13-14-11)12-6-3-10-5-8-16(2)15-10/h4-5,7-9,12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine?
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 106104199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).