1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

C14H19N3O — CID 54897632

IUPAC1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESCC(C)Oc1ccc(CNCc2cn[nH]c2)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)18-14-5-3-12(4-6-14)7-15-8-13-9-16-17-10-13/h3-6,9-11,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyMWZPJSPNFPVMNU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 54897632) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID54897632
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESCC(C)Oc1ccc(CNCc2cn[nH]c2)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)18-14-5-3-12(4-6-14)7-15-8-13-9-16-17-10-13/h3-6,9-11,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyMWZPJSPNFPVMNU-UHFFFAOYSA-N
XLogP2.49
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
N-(1H-pyrazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 54897039
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 60761686
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
CID 43756540
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54893446
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 60999901
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
N-[(4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415274

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 54897632) is 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is CC(C)Oc1ccc(CNCc2cn[nH]c2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is MWZPJSPNFPVMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)18-14-5-3-12(4-6-14)7-15-8-13-9-16-17-10-13/h3-6,9-11,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 54897632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).