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

C10H20ClN3 — CID 126964438

IUPAC3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride
SMILESCCCNc1cn(C(C)C)nc1C.Cl
InChIInChI=1S/C10H19N3.ClH/c1-5-6-11-10-7-13(8(2)3)12-9(10)4;/h7-8,11H,5-6H2,1-4H3;1H
InChIKeyMSWPXPXCEJPSGD-UHFFFAOYSA-N
MW217.74 g/mol
LogP3.02
Rot. Bonds4

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

3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride (PubChem CID 126964438) has the molecular formula C10H20ClN3 and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride
PubChem CID126964438
Molecular FormulaC10H20ClN3
Molecular Weight217.74 g/mol
Exact Mass217.13
IUPAC Name3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride
SMILESCCCNc1cn(C(C)C)nc1C.Cl
InChIInChI=1S/C10H19N3.ClH/c1-5-6-11-10-7-13(8(2)3)12-9(10)4;/h7-8,11H,5-6H2,1-4H3;1H
InChIKeyMSWPXPXCEJPSGD-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine
CID 122169047
3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965272
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
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126966978
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-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride (CID 126964438) is 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride is CCCNc1cn(C(C)C)nc1C.Cl.
What is the InChIKey of 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride?
The InChIKey is MSWPXPXCEJPSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3.ClH/c1-5-6-11-10-7-13(8(2)3)12-9(10)4;/h7-8,11H,5-6H2,1-4H3;1H.
What are the key properties of 3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride?
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 3.02, 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;hydrochloride is sourced from PubChem (CID 126964438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).