N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine

C11H21N3 — CID 62903175

IUPACN-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)CCNc1cnn(C(C)C)c1
InChIInChI=1S/C11H21N3/c1-9(2)5-6-12-11-7-13-14(8-11)10(3)4/h7-10,12H,5-6H2,1-4H3
InChIKeyZYJBYCPTBIHWNE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.92
Rot. Bonds5

About N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine

N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 62903175) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID62903175
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)CCNc1cnn(C(C)C)c1
InChIInChI=1S/C11H21N3/c1-9(2)5-6-12-11-7-13-14(8-11)10(3)4/h7-10,12H,5-6H2,1-4H3
InChIKeyZYJBYCPTBIHWNE-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
N-nonan-2-yl-1-propan-2-ylpyrazol-4-amine
CID 63478238
3,5-difluoro-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]benzonitrile
CID 107038344
2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol
CID 81418743
N-[(3-chloro-4-fluorophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 81145371
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 62902813
2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol
CID 65338216
N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115749351
N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115881219
N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904585
1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine
CID 80562201

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine (CID 62903175) is N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine is CC(C)CCNc1cnn(C(C)C)c1.
What is the InChIKey of N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is ZYJBYCPTBIHWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)5-6-12-11-7-13-14(8-11)10(3)4/h7-10,12H,5-6H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine?
N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62903175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).