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

C14H17N3O2 — CID 117401936

IUPAC4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)ccc1OCC1CC1
InChIInChI=1S/C14H17N3O2/c1-18-13-6-10(11-7-16-17-14(11)15)4-5-12(13)19-8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H3,15,16,17)
InChIKeyNMNPBVOPJMAVPQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.46
Rot. Bonds5

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

4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117401936) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
PubChem CID117401936
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)ccc1OCC1CC1
InChIInChI=1S/C14H17N3O2/c1-18-13-6-10(11-7-16-17-14(11)15)4-5-12(13)19-8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H3,15,16,17)
InChIKeyNMNPBVOPJMAVPQ-UHFFFAOYSA-N
XLogP2.46
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117435948
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117404879
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117465913
4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine
CID 117330777
4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117438444
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117444360
4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117338159
4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117470689
4-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]-1H-pyrazol-5-amine
CID 117494110
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402338
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine (CID 117401936) is 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine is COc1cc(-c2cn[nH]c2N)ccc1OCC1CC1.
What is the InChIKey of 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is NMNPBVOPJMAVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-13-6-10(11-7-16-17-14(11)15)4-5-12(13)19-8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H3,15,16,17).
What are the key properties of 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine?
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 259.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117401936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).