2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

C17H25N5O2 — CID 119728688

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C17H25N5O2/c23-16(7-11-5-13-3-4-14(6-11)19-13)21-15-8-18-22(9-15)10-17(24)20-12-1-2-12/h8-9,11-14,19H,1-7,10H2,(H,20,24)(H,21,23)
InChIKeyYJIFASHGLMQLOS-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.02
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 119728688) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID119728688
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C17H25N5O2/c23-16(7-11-5-13-3-4-14(6-11)19-13)21-15-8-18-22(9-15)10-17(24)20-12-1-2-12/h8-9,11-14,19H,1-7,10H2,(H,20,24)(H,21,23)
InChIKeyYJIFASHGLMQLOS-UHFFFAOYSA-N
XLogP1.02
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide with MolForge

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Related Compounds

4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
CID 62836061
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
CID 79270069
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 64609936
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride
CID 119840334
N-cyclopropyl-2-[4-(hexan-3-ylamino)pyrazol-1-yl]acetamide
CID 103960972
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (CID 119728688) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is YJIFASHGLMQLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-16(7-11-5-13-3-4-14(6-11)19-13)21-15-8-18-22(9-15)10-17(24)20-12-1-2-12/h8-9,11-14,19H,1-7,10H2,(H,20,24)(H,21,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 119728688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).