N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine

C16H21N3O — CID 116802391

IUPACN-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
SMILESCC(C)n1cc(Oc2ccc(CNC3CC3)cc2)cn1
InChIInChI=1S/C16H21N3O/c1-12(2)19-11-16(10-18-19)20-15-7-3-13(4-8-15)9-17-14-5-6-14/h3-4,7-8,10-12,14,17H,5-6,9H2,1-2H3
InChIKeyNBDRSWMFIAZHNT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.51
Rot. Bonds6

About N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine

N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine (PubChem CID 116802391) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
PubChem CID116802391
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
SMILESCC(C)n1cc(Oc2ccc(CNC3CC3)cc2)cn1
InChIInChI=1S/C16H21N3O/c1-12(2)19-11-16(10-18-19)20-15-7-3-13(4-8-15)9-17-14-5-6-14/h3-4,7-8,10-12,14,17H,5-6,9H2,1-2H3
InChIKeyNBDRSWMFIAZHNT-UHFFFAOYSA-N
XLogP3.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533566
2-methoxy-N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
CID 116802420
N-[[3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 116803040
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696399
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107887002
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopropan-1-amine
CID 115623028

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine (CID 116802391) is N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine is CC(C)n1cc(Oc2ccc(CNC3CC3)cc2)cn1.
What is the InChIKey of N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
The InChIKey is NBDRSWMFIAZHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)19-11-16(10-18-19)20-15-7-3-13(4-8-15)9-17-14-5-6-14/h3-4,7-8,10-12,14,17H,5-6,9H2,1-2H3.
What are the key properties of N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine?
N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 116802391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).