2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide

C21H27N5O — CID 167876342

IUPAC2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1CNCC12CC2
InChIInChI=1S/C21H27N5O/c1-25(18-12-22-14-21(18)9-10-21)13-20(27)23-19-11-17(15-7-8-15)24-26(19)16-5-3-2-4-6-16/h2-6,11,15,18,22H,7-10,12-14H2,1H3,(H,23,27)
InChIKeyBYSDWXQQEIBHJF-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.37
Rot. Bonds6

About 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide

2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide (PubChem CID 167876342) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
PubChem CID167876342
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1CNCC12CC2
InChIInChI=1S/C21H27N5O/c1-25(18-12-22-14-21(18)9-10-21)13-20(27)23-19-11-17(15-7-8-15)24-26(19)16-5-3-2-4-6-16/h2-6,11,15,18,22H,7-10,12-14H2,1H3,(H,23,27)
InChIKeyBYSDWXQQEIBHJF-UHFFFAOYSA-N
XLogP2.37
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 110906782
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 120771816
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide
CID 56520964
4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122074917
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119684833
4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide
CID 34626707
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55551550
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 111543790
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-propan-2-yloxypropanamide
CID 112819311

Frequently Asked Questions

What is the IUPAC name of 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide (CID 167876342) is 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide is CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1CNCC12CC2.
What is the InChIKey of 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
The InChIKey is BYSDWXQQEIBHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-25(18-12-22-14-21(18)9-10-21)13-20(27)23-19-11-17(15-7-8-15)24-26(19)16-5-3-2-4-6-16/h2-6,11,15,18,22H,7-10,12-14H2,1H3,(H,23,27).
What are the key properties of 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-azaspiro[2.4]heptan-7-yl(methyl)amino]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 167876342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).