N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide

C16H26N4O — CID 61230946

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(C(=O)c1c(C)n[nH]c1C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H26N4O/c1-4-7-20(14-8-12-5-6-13(9-14)17-12)16(21)15-10(2)18-19-11(15)3/h12-14,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyBRRUPZJDCFZTCU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.16
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide (PubChem CID 61230946) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
PubChem CID61230946
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(C(=O)c1c(C)n[nH]c1C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H26N4O/c1-4-7-20(14-8-12-5-6-13(9-14)17-12)16(21)15-10(2)18-19-11(15)3/h12-14,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyBRRUPZJDCFZTCU-UHFFFAOYSA-N
XLogP2.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide (CID 61230946) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide is CCCN(C(=O)c1c(C)n[nH]c1C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is BRRUPZJDCFZTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-7-20(14-8-12-5-6-13(9-14)17-12)16(21)15-10(2)18-19-11(15)3/h12-14,17H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61230946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).