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

C13H25N3 — CID 62530134

IUPAC3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Cc1cnn(C)c1)C(C)C
InChIInChI=1S/C13H25N3/c1-10(2)13(8-14-11(3)4)6-12-7-15-16(5)9-12/h7,9-11,13-14H,6,8H2,1-5H3
InChIKeyGDKPNLBJDDEOBL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.23
Rot. Bonds6

About 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine

3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 62530134) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID62530134
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Cc1cnn(C)c1)C(C)C
InChIInChI=1S/C13H25N3/c1-10(2)13(8-14-11(3)4)6-12-7-15-16(5)9-12/h7,9-11,13-14H,6,8H2,1-5H3
InChIKeyGDKPNLBJDDEOBL-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
3-methyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 81020328
N-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106018241
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 62516151
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
2-benzyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 103014294
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine (CID 62530134) is 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine is CC(C)NCC(Cc1cnn(C)c1)C(C)C.
What is the InChIKey of 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is GDKPNLBJDDEOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)13(8-14-11(3)4)6-12-7-15-16(5)9-12/h7,9-11,13-14H,6,8H2,1-5H3.
What are the key properties of 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine?
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62530134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).