1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine

C11H21N3 — CID 115921806

IUPAC1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)CCn1ccc(NC(C)C)n1
InChIInChI=1S/C11H21N3/c1-9(2)5-7-14-8-6-11(13-14)12-10(3)4/h6,8-10H,5,7H2,1-4H3,(H,12,13)
InChIKeyQQPFNXUDNVUYCF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.75
Rot. Bonds5

About 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine

1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine (PubChem CID 115921806) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
PubChem CID115921806
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)CCn1ccc(NC(C)C)n1
InChIInChI=1S/C11H21N3/c1-9(2)5-7-14-8-6-11(13-14)12-10(3)4/h6,8-10H,5,7H2,1-4H3,(H,12,13)
InChIKeyQQPFNXUDNVUYCF-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
CID 115921805
3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide
CID 115885206
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
5,6-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 75451286
N,1-di(propan-2-yl)pyrazol-3-amine
CID 130477356
6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine
CID 133459767
3-(methoxymethyl)-1-(3-methylbutyl)pyrazole
CID 66016329
4-[[1-(3-methylbutyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 124602230
6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine
CID 133459759
4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide
CID 75516293
N,1-di(propan-2-yl)pyrazol-3-amine;ethane
CID 169238022
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine (CID 115921806) is 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine is CC(C)CCn1ccc(NC(C)C)n1.
What is the InChIKey of 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine?
The InChIKey is QQPFNXUDNVUYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)5-7-14-8-6-11(13-14)12-10(3)4/h6,8-10H,5,7H2,1-4H3,(H,12,13).
What are the key properties of 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine?
1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 115921806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).