3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine

C10H19N3 — CID 122169047

IUPAC3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine
SMILESCCCNc1cn(C(C)C)nc1C
InChIInChI=1S/C10H19N3/c1-5-6-11-10-7-13(8(2)3)12-9(10)4/h7-8,11H,5-6H2,1-4H3
InChIKeyYAVLMMZXSFVOOK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.59
Rot. Bonds4

About 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine

3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine (PubChem CID 122169047) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine
PubChem CID122169047
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine
SMILESCCCNc1cn(C(C)C)nc1C
InChIInChI=1S/C10H19N3/c1-5-6-11-10-7-13(8(2)3)12-9(10)4/h7-8,11H,5-6H2,1-4H3
InChIKeyYAVLMMZXSFVOOK-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride
CID 126964438
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361
3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965272
3-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167543
N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122168310
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 122166469
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126966978
N-butyl-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168927
N-[1-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66021245
N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 165478730
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167804

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine?
The IUPAC name of 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine (CID 122169047) is 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine is CCCNc1cn(C(C)C)nc1C.
What is the InChIKey of 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine?
The InChIKey is YAVLMMZXSFVOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-6-11-10-7-13(8(2)3)12-9(10)4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine?
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine is sourced from PubChem (CID 122169047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).