2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide

C16H29N5O — CID 56897958

IUPAC2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C16H29N5O/c1-5-17-15(22)12-21-8-6-20(7-9-21)11-13-10-14(19-18-13)16(2,3)4/h10H,5-9,11-12H2,1-4H3,(H,17,22)(H,18,19)
InChIKeyBAMLXLFUFULWAV-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.96
Rot. Bonds5

About 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 56897958) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID56897958
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C16H29N5O/c1-5-17-15(22)12-21-8-6-20(7-9-21)11-13-10-14(19-18-13)16(2,3)4/h10H,5-9,11-12H2,1-4H3,(H,17,22)(H,18,19)
InChIKeyBAMLXLFUFULWAV-UHFFFAOYSA-N
XLogP0.96
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 77090744
N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 110007949
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 90507422
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847144
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine
CID 77084666
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 77084591
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
2-[4-[(7-tert-butyl-5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-7,10-bis[2-(ethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-ethylacetamide
CID 166125365

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide (CID 56897958) is 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1.
What is the InChIKey of 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is BAMLXLFUFULWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-5-17-15(22)12-21-8-6-20(7-9-21)11-13-10-14(19-18-13)16(2,3)4/h10H,5-9,11-12H2,1-4H3,(H,17,22)(H,18,19).
What are the key properties of 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 307.44 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 56897958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).