N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride

C15H29ClN4 — CID 47331708

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCCN1CCC(CNCc2cn[nH]c2C(C)(C)C)C1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-5-19-7-6-12(11-19)8-16-9-13-10-17-18-14(13)15(2,3)4;/h10,12,16H,5-9,11H2,1-4H3,(H,17,18);1H
InChIKeyKFFZFYFYKYYNHS-UHFFFAOYSA-N
MW300.88 g/mol
LogP2.56
Rot. Bonds5

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride (PubChem CID 47331708) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride
PubChem CID47331708
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCCN1CCC(CNCc2cn[nH]c2C(C)(C)C)C1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-5-19-7-6-12(11-19)8-16-9-13-10-17-18-14(13)15(2,3)4;/h10,12,16H,5-9,11H2,1-4H3,(H,17,18);1H
InChIKeyKFFZFYFYKYYNHS-UHFFFAOYSA-N
XLogP2.56
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride (CID 47331708) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride is CCN1CCC(CNCc2cn[nH]c2C(C)(C)C)C1.Cl.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride?
The InChIKey is KFFZFYFYKYYNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.ClH/c1-5-19-7-6-12(11-19)8-16-9-13-10-17-18-14(13)15(2,3)4;/h10,12,16H,5-9,11H2,1-4H3,(H,17,18);1H.
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride has a molecular weight of 300.88 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 47331708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).