1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride

C15H26ClN5 — CID 126965255

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCCn1cc(CNCc2cn(CC)nc2C)c(C)n1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-5-7-20-11-15(13(4)18-20)9-16-8-14-10-19(6-2)17-12(14)3;/h10-11,16H,5-9H2,1-4H3;1H
InChIKeyUTWKJZZXYVZSID-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.84
Rot. Bonds7

About 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 126965255) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID126965255
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCCn1cc(CNCc2cn(CC)nc2C)c(C)n1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-5-7-20-11-15(13(4)18-20)9-16-8-14-10-19(6-2)17-12(14)3;/h10-11,16H,5-9H2,1-4H3;1H
InChIKeyUTWKJZZXYVZSID-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride (CID 126965255) is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride is CCCn1cc(CNCc2cn(CC)nc2C)c(C)n1.Cl.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is UTWKJZZXYVZSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.ClH/c1-5-7-20-11-15(13(4)18-20)9-16-8-14-10-19(6-2)17-12(14)3;/h10-11,16H,5-9H2,1-4H3;1H.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126965255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).