N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

C17H23N3O — CID 114519486

IUPACN-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC2CC2)cc1)c1cnn(C)c1
InChIInChI=1S/C17H23N3O/c1-3-10-18-17(14-11-19-20(2)12-14)13-4-6-15(7-5-13)21-16-8-9-16/h4-7,11-12,16-18H,3,8-10H2,1-2H3
InChIKeyGQZZGENJKOHDHG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds7

About N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 114519486) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID114519486
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC2CC2)cc1)c1cnn(C)c1
InChIInChI=1S/C17H23N3O/c1-3-10-18-17(14-11-19-20(2)12-14)13-4-6-15(7-5-13)21-16-8-9-16/h4-7,11-12,16-18H,3,8-10H2,1-2H3
InChIKeyGQZZGENJKOHDHG-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-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497242
N-[[3-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497241
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105188528
N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114521778
3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
CID 65200715
2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114520707

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 114519486) is N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(OC2CC2)cc1)c1cnn(C)c1.
What is the InChIKey of N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is GQZZGENJKOHDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-10-18-17(14-11-19-20(2)12-14)13-4-6-15(7-5-13)21-16-8-9-16/h4-7,11-12,16-18H,3,8-10H2,1-2H3.
What are the key properties of N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-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-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114519486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).