4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine

C13H15N3O — CID 117330777

IUPAC4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(OCC2CC2)c1
InChIInChI=1S/C13H15N3O/c14-13-12(7-15-16-13)10-2-1-3-11(6-10)17-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H3,14,15,16)
InChIKeySSOCJLMRZKWUCC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.45
Rot. Bonds4

About 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine

4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 117330777) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine
PubChem CID117330777
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(OCC2CC2)c1
InChIInChI=1S/C13H15N3O/c14-13-12(7-15-16-13)10-2-1-3-11(6-10)17-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H3,14,15,16)
InChIKeySSOCJLMRZKWUCC-UHFFFAOYSA-N
XLogP2.45
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
CID 117401936
4-[3-(1,1-dioxothietan-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117447689
5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine
CID 170147983
1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene
CID 166449839
5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine
CID 68877599
3-(piperidin-4-ylmethoxy)aniline
CID 89233329
6-(cyclopropylmethoxy)-1H-indazole
CID 67778171
2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide
CID 72874618
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
CID 69228196
2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine
CID 167768126

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine (CID 117330777) is 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc(OCC2CC2)c1.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is SSOCJLMRZKWUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-13-12(7-15-16-13)10-2-1-3-11(6-10)17-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H3,14,15,16).
What are the key properties of 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine?
4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 229.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117330777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).