N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

C16H23N3 — CID 62113323

IUPACN-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCCCc1ccc(-c2cc(CNC(C)C)[nH]n2)cc1
InChIInChI=1S/C16H23N3/c1-4-5-13-6-8-14(9-7-13)16-10-15(18-19-16)11-17-12(2)3/h6-10,12,17H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyUQVHLDYZLVEJAK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.53
Rot. Bonds6

About N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (PubChem CID 62113323) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
PubChem CID62113323
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCCCc1ccc(-c2cc(CNC(C)C)[nH]n2)cc1
InChIInChI=1S/C16H23N3/c1-4-5-13-6-8-14(9-7-13)16-10-15(18-19-16)11-17-12(2)3/h6-10,12,17H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyUQVHLDYZLVEJAK-UHFFFAOYSA-N
XLogP3.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (CID 62113323) is N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is CCCc1ccc(-c2cc(CNC(C)C)[nH]n2)cc1.
What is the InChIKey of N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The InChIKey is UQVHLDYZLVEJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-5-13-6-8-14(9-7-13)16-10-15(18-19-16)11-17-12(2)3/h6-10,12,17H,4-5,11H2,1-3H3,(H,18,19).
What are the key properties of N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62113323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).