N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine

C10H16N4 — CID 131062564

IUPACN-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine
SMILESCn1nccc1NCC1C2CNC1C2
InChIInChI=1S/C10H16N4/c1-14-10(2-3-13-14)12-6-8-7-4-9(8)11-5-7/h2-3,7-9,11-12H,4-6H2,1H3
InChIKeyNXILMPNVPCQVHW-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.44
Rot. Bonds3

About N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine

N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine (PubChem CID 131062564) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine
PubChem CID131062564
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine
SMILESCn1nccc1NCC1C2CNC1C2
InChIInChI=1S/C10H16N4/c1-14-10(2-3-13-14)12-6-8-7-4-9(8)11-5-7/h2-3,7-9,11-12H,4-6H2,1H3
InChIKeyNXILMPNVPCQVHW-UHFFFAOYSA-N
XLogP0.44
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 103542592
2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
CID 115868560
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine
CID 112737176
2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541
2-N-ethyl-2-methyl-1-N-(2-methylpyrazol-3-yl)propane-1,2-diamine
CID 103542740
2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine
CID 130685382
N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 63963092
1-(1-methylpyrazol-4-yl)-N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103542647
2-methyl-N-[2-(oxolan-3-yl)ethyl]pyrazol-3-amine
CID 130617330
2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
CID 103542534
2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol
CID 19627565
2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 103542631

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine?
The IUPAC name of N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine (CID 131062564) is N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine.
What is the SMILES notation for N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine?
The canonical SMILES for N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine is Cn1nccc1NCC1C2CNC1C2.
What is the InChIKey of N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine?
The InChIKey is NXILMPNVPCQVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-14-10(2-3-13-14)12-6-8-7-4-9(8)11-5-7/h2-3,7-9,11-12H,4-6H2,1H3.
What are the key properties of N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine?
N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine has a molecular weight of 192.27 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine is sourced from PubChem (CID 131062564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).