2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline

C13H15N3O — CID 138753383

IUPAC2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline
SMILESNc1ccc(-n2cccn2)cc1OCC1CC1
InChIInChI=1S/C13H15N3O/c14-12-5-4-11(16-7-1-6-15-16)8-13(12)17-9-10-2-3-10/h1,4-8,10H,2-3,9,14H2
InChIKeyQPFKEZGHZAQZOY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.24
Rot. Bonds4

About 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline

2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline (PubChem CID 138753383) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline
PubChem CID138753383
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline
SMILESNc1ccc(-n2cccn2)cc1OCC1CC1
InChIInChI=1S/C13H15N3O/c14-12-5-4-11(16-7-1-6-15-16)8-13(12)17-9-10-2-3-10/h1,4-8,10H,2-3,9,14H2
InChIKeyQPFKEZGHZAQZOY-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(cyclopropylmethoxy)quinolin-5-amine
CID 43450315
4-ethoxy-7-pyrazol-1-ylquinoline
CID 155778831
4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
CID 82900891
1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435
2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline
CID 155920771
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
1-(4-amino-3-ethoxyphenyl)-1,2,4-triazole-3-carbonitrile
CID 63677142
2-ethoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236646
4-amino-3-(cycloheptylmethoxy)benzamide
CID 114247963
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
4-(cyclopentylmethoxy)quinolin-8-amine
CID 83060698

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline?
The IUPAC name of 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline (CID 138753383) is 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline.
What is the SMILES notation for 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline?
The canonical SMILES for 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline is Nc1ccc(-n2cccn2)cc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline?
The InChIKey is QPFKEZGHZAQZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-12-5-4-11(16-7-1-6-15-16)8-13(12)17-9-10-2-3-10/h1,4-8,10H,2-3,9,14H2.
What are the key properties of 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline?
2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline has a molecular weight of 229.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-4-pyrazol-1-ylaniline is sourced from PubChem (CID 138753383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).