N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride

C15H27ClN4O — CID 119495118

IUPACN-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-10(16)7-8-17-14(20)12-9-13(11-5-6-11)19(18-12)15(2,3)4;/h9-11H,5-8,16H2,1-4H3,(H,17,20);1H
InChIKeyJKFRWENHDHWAON-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.40
Rot. Bonds5

About N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride

N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119495118) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
PubChem CID119495118
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC NameN-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-10(16)7-8-17-14(20)12-9-13(11-5-6-11)19(18-12)15(2,3)4;/h9-11H,5-8,16H2,1-4H3,(H,17,20);1H
InChIKeyJKFRWENHDHWAON-UHFFFAOYSA-N
XLogP2.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride (CID 119495118) is N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride is CC(N)CCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is JKFRWENHDHWAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.ClH/c1-10(16)7-8-17-14(20)12-9-13(11-5-6-11)19(18-12)15(2,3)4;/h9-11H,5-8,16H2,1-4H3,(H,17,20);1H.
What are the key properties of N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119495118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).