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

C15H26ClN5 — CID 126966916

IUPACN-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1ccc(CNCc2cn(C(C)C)nc2C)n1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-5-7-19-8-6-15(18-19)10-16-9-14-11-20(12(2)3)17-13(14)4;/h6,8,11-12,16H,5,7,9-10H2,1-4H3;1H
InChIKeyRLNVPHSVNGHKMJ-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.09
Rot. Bonds7

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

N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 126966916) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID126966916
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC NameN-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1ccc(CNCc2cn(C(C)C)nc2C)n1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-5-7-19-8-6-15(18-19)10-16-9-14-11-20(12(2)3)17-13(14)4;/h6,8,11-12,16H,5,7,9-10H2,1-4H3;1H
InChIKeyRLNVPHSVNGHKMJ-UHFFFAOYSA-N
XLogP3.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride (CID 126966916) is N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride is CCCn1ccc(CNCc2cn(C(C)C)nc2C)n1.Cl.
What is the InChIKey of N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is RLNVPHSVNGHKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.ClH/c1-5-7-19-8-6-15(18-19)10-16-9-14-11-20(12(2)3)17-13(14)4;/h6,8,11-12,16H,5,7,9-10H2,1-4H3;1H.
What are the key properties of N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126966916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).