N-(4-methoxyphenyl)-1H-pyrazol-5-amine

C10H11N3O — CID 14838491

IUPACN-(4-methoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1ccc(Nc2ccn[nH]2)cc1
InChIInChI=1S/C10H11N3O/c1-14-9-4-2-8(3-5-9)12-10-6-7-11-13-10/h2-7H,1H3,(H2,11,12,13)
InChIKeySBBYLGZCLMFIJA-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.16
Rot. Bonds3

About N-(4-methoxyphenyl)-1H-pyrazol-5-amine

N-(4-methoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 14838491) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1H-pyrazol-5-amine
PubChem CID14838491
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-(4-methoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1ccc(Nc2ccn[nH]2)cc1
InChIInChI=1S/C10H11N3O/c1-14-9-4-2-8(3-5-9)12-10-6-7-11-13-10/h2-7H,1H3,(H2,11,12,13)
InChIKeySBBYLGZCLMFIJA-UHFFFAOYSA-N
XLogP2.16
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-1H-pyrazol-5-amine (CID 14838491) is N-(4-methoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1H-pyrazol-5-amine is COc1ccc(Nc2ccn[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is SBBYLGZCLMFIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-9-4-2-8(3-5-9)12-10-6-7-11-13-10/h2-7H,1H3,(H2,11,12,13).
What are the key properties of N-(4-methoxyphenyl)-1H-pyrazol-5-amine?
N-(4-methoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 189.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 14838491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).