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

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(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
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1-Benzyl-1H-pyrazole
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1-(2-phenylethyl)-1H-pyrazole
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Fezolamine
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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).