3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride

C14H24ClN5 — CID 126965272

IUPAC3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCCn1cc(CNc2cn(C(C)C)nc2C)cn1.Cl
InChIInChI=1S/C14H23N5.ClH/c1-5-6-18-9-13(8-16-18)7-15-14-10-19(11(2)3)17-12(14)4;/h8-11,15H,5-7H2,1-4H3;1H
InChIKeyINCODNSSQYUORK-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.41
Rot. Bonds6

About 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride

3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126965272) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126965272
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCCn1cc(CNc2cn(C(C)C)nc2C)cn1.Cl
InChIInChI=1S/C14H23N5.ClH/c1-5-6-18-9-13(8-16-18)7-15-14-10-19(11(2)3)17-12(14)4;/h8-11,15H,5-7H2,1-4H3;1H
InChIKeyINCODNSSQYUORK-UHFFFAOYSA-N
XLogP3.41
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 122166469
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964358
3-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167543
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167868
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride
CID 126964438
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167041
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine
CID 122169047
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366
N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122168310

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (CID 126965272) is 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is CCCn1cc(CNc2cn(C(C)C)nc2C)cn1.Cl.
What is the InChIKey of 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is INCODNSSQYUORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5.ClH/c1-5-6-18-9-13(8-16-18)7-15-14-10-19(11(2)3)17-12(14)4;/h8-11,15H,5-7H2,1-4H3;1H.
What are the key properties of 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126965272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).