N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide

C22H26N4O2 — CID 139572066

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide
SMILESC=CC(=O)N1CCC(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-22(28)26-11-9-17(10-12-26)16-5-3-15(4-6-16)13-21(27)23-20-14-19(24-25-20)18-7-8-18/h2-6,14,17-18H,1,7-13H2,(H2,23,24,25,27)
InChIKeyFMMXAJBRSRPMFI-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.36
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide (PubChem CID 139572066) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide
PubChem CID139572066
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide
SMILESC=CC(=O)N1CCC(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-22(28)26-11-9-17(10-12-26)16-5-3-15(4-6-16)13-21(27)23-20-14-19(24-25-20)18-7-8-18/h2-6,14,17-18H,1,7-13H2,(H2,23,24,25,27)
InChIKeyFMMXAJBRSRPMFI-UHFFFAOYSA-N
XLogP3.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 22177019
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CID 18423577
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
N-[[5-[5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-2-pyridinyl]methyl]prop-2-enamide
CID 155175687
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide
CID 22176952
2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176957
2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176703
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
CID 155168097
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)phenyl]acetamide
CID 10180567
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide
CID 22176895
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide
CID 139558785

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide (CID 139572066) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide is C=CC(=O)N1CCC(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide?
The InChIKey is FMMXAJBRSRPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-22(28)26-11-9-17(10-12-26)16-5-3-15(4-6-16)13-21(27)23-20-14-19(24-25-20)18-7-8-18/h2-6,14,17-18H,1,7-13H2,(H2,23,24,25,27).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide is sourced from PubChem (CID 139572066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).