N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine

C13H17N5 — CID 165474893

IUPACN-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine
SMILESNc1ccccc1CNc1ccnn1C1CNC1
InChIInChI=1S/C13H17N5/c14-12-4-2-1-3-10(12)7-16-13-5-6-17-18(13)11-8-15-9-11/h1-6,11,15-16H,7-9,14H2
InChIKeyXNBWTIIZYWGJOS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.22
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine

N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine (PubChem CID 165474893) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine
PubChem CID165474893
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine
SMILESNc1ccccc1CNc1ccnn1C1CNC1
InChIInChI=1S/C13H17N5/c14-12-4-2-1-3-10(12)7-16-13-5-6-17-18(13)11-8-15-9-11/h1-6,11,15-16H,7-9,14H2
InChIKeyXNBWTIIZYWGJOS-UHFFFAOYSA-N
XLogP1.22
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
CID 165483224
2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 165474821
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine
CID 165483213
2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine
CID 165484747
N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-carbamothioylbutanamide
CID 165474032
2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine
CID 165484802
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
CID 165484852
N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide
CID 165474686
N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474174
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]pent-4-enamide
CID 165474812
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484923
1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine
CID 105437694

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine (CID 165474893) is N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine is Nc1ccccc1CNc1ccnn1C1CNC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine?
The InChIKey is XNBWTIIZYWGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-12-4-2-1-3-10(12)7-16-13-5-6-17-18(13)11-8-15-9-11/h1-6,11,15-16H,7-9,14H2.
What are the key properties of N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine?
N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine has a molecular weight of 243.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine is sourced from PubChem (CID 165474893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).