N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

C19H35Cl2N5O — CID 154893810

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (PubChem CID 154893810) has the molecular formula C19H35Cl2N5O and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
• PubChem CID: 154893810
• Molecular Formula: C19H35Cl2N5O
• Molecular Weight: 420.43 g/mol
• Exact Mass: 419.22
• IUPAC Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
• SMILES: CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1CC2(CCNCC2)CN1C.Cl.Cl
• InChI: InChI=1S/C19H33N5O.2ClH/c1-18(2,3)16-10-14(21-22-16)12-23(4)17(25)15-11-19(13-24(15)5)6-8-20-9-7-19;;/h10,15,20H,6-9,11-13H2,1-5H3,(H,21,22);2*1H
• InChIKey: KCIHTLSEECEFES-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 64.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.43
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?

The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (CID 154893810) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.

What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?

The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1CC2(CCNCC2)CN1C.Cl.Cl.

What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?

The InChIKey is KCIHTLSEECEFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.2ClH/c1-18(2,3)16-10-14(21-22-16)12-23(4)17(25)15-11-19(13-24(15)5)6-8-20-9-7-19;;/h10,15,20H,6-9,11-13H2,1-5H3,(H,21,22);2*1H.

What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154893810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).