N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine

C14H19N3O — CID 116793098

IUPACN-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)15-8-12-4-6-13(7-5-12)18-14-9-16-17(3)10-14/h4-7,9-11,15H,8H2,1-3H3
InChIKeyXNIVEIYOMJNLPD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.71
Rot. Bonds5

About N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine

N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine (PubChem CID 116793098) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
PubChem CID116793098
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)15-8-12-4-6-13(7-5-12)18-14-9-16-17(3)10-14/h4-7,9-11,15H,8H2,1-3H3
InChIKeyXNIVEIYOMJNLPD-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine
CID 116793594
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116792884
N-[[2-(1-methylpyrazol-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
CID 116793096
N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60824032
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603
N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 116802391
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62440381
4-(1-methylpyrazol-4-yl)oxybenzonitrile
CID 83619748

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine (CID 116793098) is N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Oc2cnn(C)c2)cc1.
What is the InChIKey of N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is XNIVEIYOMJNLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)15-8-12-4-6-13(7-5-12)18-14-9-16-17(3)10-14/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 116793098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).