N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline

C17H25N3 — CID 43769110

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cn(C)nc2C(C)C)cc1
InChIInChI=1S/C17H25N3/c1-5-6-14-7-9-16(10-8-14)18-11-15-12-20(4)19-17(15)13(2)3/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeyRUUPNZPZEGZTAJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.11
Rot. Bonds6

About N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline (PubChem CID 43769110) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
PubChem CID43769110
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cn(C)nc2C(C)C)cc1
InChIInChI=1S/C17H25N3/c1-5-6-14-7-9-16(10-8-14)18-11-15-12-20(4)19-17(15)13(2)3/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeyRUUPNZPZEGZTAJ-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 43759218
3-bromo-4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 55201550
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 112549620
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3H-benzimidazol-5-amine
CID 43791200
3-N,3-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzene-1,3-diamine
CID 115376869
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103823917
2-fluoro-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzonitrile
CID 62318042
[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107229813
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]acetonitrile
CID 75499917

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline (CID 43769110) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline is CCCc1ccc(NCc2cn(C)nc2C(C)C)cc1.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline?
The InChIKey is RUUPNZPZEGZTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-6-14-7-9-16(10-8-14)18-11-15-12-20(4)19-17(15)13(2)3/h7-10,12-13,18H,5-6,11H2,1-4H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline has a molecular weight of 271.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline is sourced from PubChem (CID 43769110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).