N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride

C16H28ClN5 — CID 126965951

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1nc(C)cc1CNCc1cc(C(C)C)nn1C.Cl
InChIInChI=1S/C16H27N5.ClH/c1-6-7-21-15(8-13(4)18-21)11-17-10-14-9-16(12(2)3)19-20(14)5;/h8-9,12,17H,6-7,10-11H2,1-5H3;1H
InChIKeyQISCYBZJMNREJZ-UHFFFAOYSA-N
MW325.89 g/mol
LogP3.17
Rot. Bonds7

About N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride

N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 126965951) has the molecular formula C16H28ClN5 and a molecular weight of 325.89 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID126965951
Molecular FormulaC16H28ClN5
Molecular Weight325.89 g/mol
Exact Mass325.20
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1nc(C)cc1CNCc1cc(C(C)C)nn1C.Cl
InChIInChI=1S/C16H27N5.ClH/c1-6-7-21-15(8-13(4)18-21)11-17-10-14-9-16(12(2)3)19-20(14)5;/h8-9,12,17H,6-7,10-11H2,1-5H3;1H
InChIKeyQISCYBZJMNREJZ-UHFFFAOYSA-N
XLogP3.17
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride (CID 126965951) is N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride is CCCn1nc(C)cc1CNCc1cc(C(C)C)nn1C.Cl.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is QISCYBZJMNREJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5.ClH/c1-6-7-21-15(8-13(4)18-21)11-17-10-14-9-16(12(2)3)19-20(14)5;/h8-9,12,17H,6-7,10-11H2,1-5H3;1H.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride?
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 325.89 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126965951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).