N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride

C15H26ClN5 — CID 86808831

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride
SMILESCC(CNCc1cn[nH]c1C(C)(C)C)Cn1cccn1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-12(11-20-7-5-6-18-20)8-16-9-13-10-17-19-14(13)15(2,3)4;/h5-7,10,12,16H,8-9,11H2,1-4H3,(H,17,19);1H
InChIKeyYZSQUTXBHRZFTB-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.75
Rot. Bonds6

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride (PubChem CID 86808831) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride
PubChem CID86808831
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride
SMILESCC(CNCc1cn[nH]c1C(C)(C)C)Cn1cccn1.Cl
InChIInChI=1S/C15H25N5.ClH/c1-12(11-20-7-5-6-18-20)8-16-9-13-10-17-19-14(13)15(2,3)4;/h5-7,10,12,16H,8-9,11H2,1-4H3,(H,17,19);1H
InChIKeyYZSQUTXBHRZFTB-UHFFFAOYSA-N
XLogP2.75
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95136759
1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one
CID 95587808
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 112732597
2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 47619081
(2S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2-phenylethanamine
CID 95580794
2-methyl-N-propan-2-yl-3-pyrazol-1-ylpropan-1-amine
CID 62448113
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol
CID 111448944
2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 119122377
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
CID 86808903
1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 47625050
(1S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579607
(1R)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579606

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride (CID 86808831) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride is CC(CNCc1cn[nH]c1C(C)(C)C)Cn1cccn1.Cl.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride?
The InChIKey is YZSQUTXBHRZFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.ClH/c1-12(11-20-7-5-6-18-20)8-16-9-13-10-17-19-14(13)15(2,3)4;/h5-7,10,12,16H,8-9,11H2,1-4H3,(H,17,19);1H.
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 86808831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).