3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine

C11H21N3 — CID 81019413

IUPAC3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1ccnn1C
InChIInChI=1S/C11H21N3/c1-9(2)12-7-5-10(3)11-6-8-13-14(11)4/h6,8-10,12H,5,7H2,1-4H3
InChIKeyWPWRGSOVPKYYAQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.91
Rot. Bonds5

About 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine

3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 81019413) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
PubChem CID81019413
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1ccnn1C
InChIInChI=1S/C11H21N3/c1-9(2)12-7-5-10(3)11-6-8-13-14(11)4/h6,8-10,12H,5,7H2,1-4H3
InChIKeyWPWRGSOVPKYYAQ-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 81019743
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
1-methyl-5-octan-2-ylpyrazole
CID 135218459
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
4-(2-methylpyrazol-3-yl)pentan-2-one
CID 64719612
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
CID 107093548
3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole
CID 129168674
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
CID 106758084

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine (CID 81019413) is 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)c1ccnn1C.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is WPWRGSOVPKYYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)12-7-5-10(3)11-6-8-13-14(11)4/h6,8-10,12H,5,7H2,1-4H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine?
3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81019413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).