N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

C17H23N3O — CID 114521778

IUPACN-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC2CC2)c1)c1ccn(C)n1
InChIInChI=1S/C17H23N3O/c1-3-10-18-17(16-9-11-20(2)19-16)13-5-4-6-15(12-13)21-14-7-8-14/h4-6,9,11-12,14,17-18H,3,7-8,10H2,1-2H3
InChIKeyGYIMIOMRGZXLFF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds7

About N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 114521778) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID114521778
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC2CC2)c1)c1ccn(C)n1
InChIInChI=1S/C17H23N3O/c1-3-10-18-17(16-9-11-20(2)19-16)13-5-4-6-15(12-13)21-14-7-8-14/h4-6,9,11-12,14,17-18H,3,7-8,10H2,1-2H3
InChIKeyGYIMIOMRGZXLFF-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropyloxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114521996
N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 114521795
1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114521871
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135352
N-[(3-bromo-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135450
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114521599
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 103130771
N-[(3-cyclopropyloxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 114522013

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine (CID 114521778) is N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(OC2CC2)c1)c1ccn(C)n1.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is GYIMIOMRGZXLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-10-18-17(16-9-11-20(2)19-16)13-5-4-6-15(12-13)21-14-7-8-14/h4-6,9,11-12,14,17-18H,3,7-8,10H2,1-2H3.
What are the key properties of N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114521778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).