N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine

C14H19N3O — CID 103571612

IUPACN-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(CNOCc2ccccc2)cn1
InChIInChI=1S/C14H19N3O/c1-2-8-17-11-14(9-15-17)10-16-18-12-13-6-4-3-5-7-13/h3-7,9,11,16H,2,8,10,12H2,1H3
InChIKeyWJYZVGLWBPYDBM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.51
Rot. Bonds7

About N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine

N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 103571612) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID103571612
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(CNOCc2ccccc2)cn1
InChIInChI=1S/C14H19N3O/c1-2-8-17-11-14(9-15-17)10-16-18-12-13-6-4-3-5-7-13/h3-7,9,11,16H,2,8,10,12H2,1H3
InChIKeyWJYZVGLWBPYDBM-UHFFFAOYSA-N
XLogP2.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine
CID 82709493
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine
CID 114556010

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine (CID 103571612) is N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(CNOCc2ccccc2)cn1.
What is the InChIKey of N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is WJYZVGLWBPYDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-8-17-11-14(9-15-17)10-16-18-12-13-6-4-3-5-7-13/h3-7,9,11,16H,2,8,10,12H2,1H3.
What are the key properties of N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine?
N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 103571612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).