N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline

C16H23N3 — CID 103817805

IUPACN-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C16H23N3/c1-4-5-14-6-8-16(9-7-14)17-10-15-11-18-19(12-15)13(2)3/h6-9,11-13,17H,4-5,10H2,1-3H3
InChIKeyOCDNHVNAGDXRKN-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.03
Rot. Bonds6

About N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline

N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline (PubChem CID 103817805) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
PubChem CID103817805
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C16H23N3/c1-4-5-14-6-8-16(9-7-14)17-10-15-11-18-19(12-15)13(2)3/h6-9,11-13,17H,4-5,10H2,1-3H3
InChIKeyOCDNHVNAGDXRKN-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
CID 106935518
2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 103823681
N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 107095654
ethyl 4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzoate
CID 106704320
3-bromo-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818279
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine
CID 62903879
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline?
The IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline (CID 103817805) is N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline is CCCc1ccc(NCc2cnn(C(C)C)c2)cc1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline?
The InChIKey is OCDNHVNAGDXRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-5-14-6-8-16(9-7-14)17-10-15-11-18-19(12-15)13(2)3/h6-9,11-13,17H,4-5,10H2,1-3H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline?
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline has a molecular weight of 257.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline is sourced from PubChem (CID 103817805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).