N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine

C14H19N3O — CID 122168625

IUPACN-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine
SMILESCCCn1ccc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N3O/c1-3-9-17-10-8-14(16-17)15-11-12-4-6-13(18-2)7-5-12/h4-8,10H,3,9,11H2,1-2H3,(H,15,16)
InChIKeyKYQXQZCUXNFFFU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.91
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine

N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine (PubChem CID 122168625) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine
PubChem CID122168625
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine
SMILESCCCn1ccc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N3O/c1-3-9-17-10-8-14(16-17)15-11-12-4-6-13(18-2)7-5-12/h4-8,10H,3,9,11H2,1-2H3,(H,15,16)
InChIKeyKYQXQZCUXNFFFU-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 122168607
N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine
CID 19625908
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 141210636
N-[(2-methylphenyl)methyl]-1-propylpyrazol-3-amine
CID 19625907
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626341
1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
CID 122166231
N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
CID 82671591
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830
1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
CID 122168215

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine (CID 122168625) is N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine is CCCn1ccc(NCc2ccc(OC)cc2)n1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine?
The InChIKey is KYQXQZCUXNFFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-9-17-10-8-14(16-17)15-11-12-4-6-13(18-2)7-5-12/h4-8,10H,3,9,11H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine?
N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine is sourced from PubChem (CID 122168625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).