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

C14H22N4O — CID 61231138

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn[nH]c1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4O/c1-2-5-18(14(19)10-8-15-16-9-10)13-6-11-3-4-12(7-13)17-11/h8-9,11-13,17H,2-7H2,1H3,(H,15,16)
InChIKeyVBCJHTBDGIRMAP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.54
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide (PubChem CID 61231138) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
PubChem CID61231138
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn[nH]c1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4O/c1-2-5-18(14(19)10-8-15-16-9-10)13-6-11-3-4-12(7-13)17-11/h8-9,11-13,17H,2-7H2,1H3,(H,15,16)
InChIKeyVBCJHTBDGIRMAP-UHFFFAOYSA-N
XLogP1.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide
CID 79111863
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
CID 61233054
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
CID 61232094
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide
CID 61232091
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 61230946
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
CID 61232866
4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
CID 61230749
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 76983754
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide
CID 62679594

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide (CID 61231138) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide is CCCN(C(=O)c1cn[nH]c1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is VBCJHTBDGIRMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-5-18(14(19)10-8-15-16-9-10)13-6-11-3-4-12(7-13)17-11/h8-9,11-13,17H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.54, 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)-N-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61231138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).